Curriculum Vitae
PERSONAL DETAILS
Full Name: Peter Willett
Date of birth: 20th April 1953
Family status: Married with one daughter
QUALIFICATIONS
·
Fellow (2000) of the International
·
Member (1979) and Fellow (1989) of the
·
MSc (1976), PhD (1979: Computer Analysis of Chemical Reaction Information for Storage and
Retrieval) and DSc (1997) in Information Studies,
·
MA in Natural Sciences (Chemistry),
APPOINTMENTS
·
Professor of Information Science (1991 to date),
Department of Information Studies,
·
Reader (1988-1991), Senior Lecturer (1986-1988)
and Lecturer (1979-86), Department of Information Studies,
·
Department of Education and Science
Post-doctoral Research Fellow, Department of Information Studies,
· Library Assistant, Lambeth Public Libraries (1970-71)
RESEARCH
RESEARCH AREAS
Current research interests include:
· Similarity measures for searching chemical databases
· The use of graph theory, cluster analysis, fuzzy logic and genetic algorithms in drug discovery and protein structure analysis
· Ligand-based virtual screening
· The use of citation data for the quantitative evaluation of academic research performance.
Previous major areas of study have included:
· The automatic indexing of chemical reaction databases
· The use of clustering methods for text databases
· Database applications of parallel processors
· Applications of information retrieval in humanities computing
· 3D pharmacophore searching
· Molecular diversity analysis
· Identification and conflation of word variants in text databases.
RESEARCH GRANTS AND CONTRACTS
Awarded 86 research grants and contracts (many of them in collaboration either with colleagues within the University or with external organisations) to a total value of £5.7 million. These grants have come from the following 34 funding agencies: AstraZeneca, Biotechnology and Biological Sciences Research Council, British Library Research and Development Department, BT Information Resource Centre, Cambridge Crystallographic Data Centre, Central Electricity Generating Board, Chemical Abstracts Service, Department of Trade and Industry, EC Joint Research Centre, Eli Lilly, Elsevier Science, Engineering and Physical Sciences Research Council, GlaxoWellcome Research and Development, ICI Agrochemicals, ICI Pharmaceuticals, Janssen Pharmaceutica, Medical Research Council, Novartis Horsham Research Centre, Novartis Pharma AG, Oxford Asymmetry International, Pfizer Global Research and Development Limited (both Groton USA and Sandwich UK), Royal Society, Sanofi-Aventis, Science and Engineering Research Council, Syngenta, Tripos Inc., Unilever, University of Sheffield University Research Fund, Warner-Lambert Parke-Davis, Wellcome Research Limited, Wolfson Foundation, Xention Discovery Limited and Zeneca Agrochemicals.
PUBLICATIONS
Author of over 460 books, technical reports, journal articles, etc. describing research into novel techniques for computerised information retrieval, with particular reference to bibliographical, chemical and biological information. These publications are detailed below, with a citation analysis carried out in March 2007 identifying over 6000 citations to my work.
PROFESSIONAL
ACTIVITIES
AWARDS AND OTHER MARKS OF
RECOGNITION
· Highly commended (in 1987) in the Aslib/Institute for Scientific Information Award for Innovative Information Management for the INSTRUCT text retrieval system, which was developed in my research group.
· Youngest-ever recipient (in 1993) of the Skolnik award of the Division of Chemical Information of the American Chemical Society, which is made for work of international importance in the field of chemical information science.
· Recipient (in 1993) of a Recognition of Service Award of the Association for Computing Machinery.
· Recipient (in 1997) of the annual Distinguished Lecturer Award of the New Jersey Chapter of the American Society for Information Science, which is made for work of international importance in the field of information science.
· Recipient (in 2001) of the annual Tony Kent Strix Award of the Institute of Information Scientists, which is made in recognition of outstanding practical innovation or achievement in the field of information retrieval.
· First-ever recipient (in 2002) of the Lynch Award of the Chemical Structure Association Trust, which is to be made every three years in recognition of significant contributions to the development of chemical structure handling.
· Recipient (in 2005) of the Award for Computers in Chemical and Pharmaceutical Research of the American Chemical Society.
· Included in Who’s Who from 2004, and in Who’s Who in Science and Engineering from 1995
· Consultant to many life sciences firms, both national and international, on topics relating to chemical information systems.
· In appreciation of the consultancy work carried out for them, Pfizer Central Research agreed in 1983 to offer an annual prize to the student on the MSc Information Management programme submitting the best dissertation in scientific or technological information handling.
·
Much of the research work of my group has
subsequently been taken up and implemented in operational retrieval systems of various
kinds, with some of the software being distributed on a commercial basis by
Tripos Inc. (the GASP and GALAHAD programs) and by the Cambridge
Crystallographic Data Centre (the GOLD program). Software royalties to the
COMMITTEE MEMBERSHIP
· Trustee of the Chemical Structure Association Trust (2001 to date). Former positions have included: Committee member and minutes secretary (1979-83) and President (1998-2002) of the Chemical Structure Association. Committee member (1980-90), treasurer (1982-85), chairman (1986-88 and 1992-93), and newsletter editor (1988-90) of the British Computer Society Information Retrieval Specialist Group; Committee member (1983-86) of the ASLIB Informatics Group; Committee member (1992-94) of the British Classification Society; Committee member (1994-96) and Chairman (1996-1999) of the Management Advisory Panel of the EPSRC Chemical Database Service. Committee member of the MIMAS CrossFire Advisory Board (1998 to 2001). Committee member (1998-2000 and 2003-05) and Chair (2001-03) of the Board of Governors of the Cambridge Crystallographic Data Centre.
·
Secretary (1987-89) of a Working Party of the
Inter-University Software Committee that carried out an extended evaluation of
free-text retrieval packages and that resulted in the Computer Board funding
the acquisition of the BRS/Search package for the entire higher education
sector. One of the 11 co-ordinators for Information UK 2000, a major forecasting
exercise (1989-90) carried out by the British Library to predict the shape of
information systems in the
REFEREEING AND EXTERNAL
EXAMINING
· Currently on the editorial boards of Chemistry Central Journal (2006 to date), Journal of Computer-Aided Molecular Design (2000 to date), Journal of Molecular Graphics and Modelling (1998 to date) and QSAR and Combinatorial Science (2003 to date). Previously European editor of the Journal of the American Society for Information Science (1983-99), member of the editorial boards of Journal of Chemical Information and Computer Sciences (1991-2001), Journal of Combinatorial Chemistry (1998-99), Journal of Documentation (1987-93 and 1994-2002, including being Chair of the Board 2001-2002), Information Retrieval (1996-2001), SAR and QSAR in Environmental Research (1992-2004) and Tetrahedron Computer Methodology (1987-92), and only non-US member of the Books Advisory Board of the American Chemical Society (1992-96).
· Refereeing of articles for the following 65 journals: ACM Computing Reviews, ACM Transactions on Database Systems, ACM Transactions on Asian Languages Information Processing, ACM Transactions on Information Systems, Acta Crystallographica B, Bioinformatics Journal, BioSilico, BMC Bioinformatics, ChemMedChem, Chimica Oggi, Combinatorial Chemistry and High Throughput Screening, Current Topics in Medicinal Chemistry, Drug Discovery Today, Electronic Library, Electronic Publishing, Expert Opinion on Therapeutic Patents, IEEE Transactions on Knowledge and Data Engineering, IEEE Transactions on Computers, IEEE Transactions on Systems, Man and Cybernetics, Information and Software Technology, Information Processing and Management, Information Research, Information Retrieval, Information Technology: Research and Development, International Journal of Human-Computer Studies, International Journal of Man-Machine Studies, Internet Journal of Chemistry, Journal of Advancing Information and Management Studies, Journal of the American Chemical Society, Journal of the American Society for Information Science, Journal of the Brazilian Chemical Society, Journal of Chemical Information and Computer Sciences, Journal of Chemometrics, Journal of Combinatorial Chemistry, Journal of Computer Speech and Language, Journal of Computer-Aided Molecular Design, Journal of Computational Chemistry, Journal of Digital Information, Journal of Documentation, Journal of Enzyme Inhibition and Medicinal Chemistry, Journal of Information Science, Journal of Medicinal Chemistry, Journal of Molecular Biology, Journal of Molecular Graphics and Modelling, Journal of Molecular Modelling, Journal of Natural Language Engineering, Literary and Linguistic Computing, Microprocessors and Microsystems, Molecular Physics, Nature Biotechnology, Nature Chemical Biology, Nature Reviews in Drug Discovery, Online Review, Organic and Biomolecular Chemistry, Protein Science, Proteins: Structure, Function and Genetics, Royal Society Proceedings, QSAR and Combinatorial Science, Quantitative Structure-Activity Relationships, SAR and QSAR in Environmental Research, Scientometrics, SIAM Journal on Scientific Computing, Technometrics, Tetrahedron Computer Methodology, World Wide Web Journal.
· Refereeing of grant proposals for the following 20 funding agencies: American Chemical Society Petroleum Research Fund, Arts and Humanities Research Board, Biotechnology and Biological Sciences Research Council, British Academy, British Library Research and Development Department, British Library Research and Innovation Centre, the Department of Trade and Industry, the Economic and Social Research Council, the Engineering and Physical Sciences Research Council, the Irish Research Council for Science, Engineering and Technology, the Isaac Newton Trust, the Israel Science Foundation, the Medical Research Council, the National Science Foundation, the Research Council of the Government of Slovenia, the Science and Engineering Research Council, Science Foundation Ireland, the United States Department of Agriculture, the University of Cyprus, and the Wellcome Trust.
· Membership of grant panels for EPSRC Human Factors programme and EPSRC/BBSRC Bioinformatics programme.
· Chair of Panel 6 of the Arts and Humanities Research Council (2006 to date) and member of its Research Committee (2006 to date)
· Member and Deputy Chair of Sub-panel 37 (Library and Information Management) for RAE 2008 (2005 to date)
·
Refereeing of higher-degree proposals for the
following 3 universities:
·
Acting as external examiner for the MSc
ChemInformatics programme at UMIST (2001-2005) and a member of external
departmental review panels at the
· Acting as an external examiner for MSc, PhD and DSc theses for the following 23 universities: Birkbeck College, Cambridge, City University, Dublin City University (Ireland), East Anglia, Erlangen-Nuremberg (Germany), Imperial College, Universiti Kebangsaan (Malaysia), Keele University, Lancaster University, Leeds University, Liverpool University, Loughborough University, Manchester Metropolitan University, Manchester University, Nanyang Technological University (Singapore), Reading University, Robert Gordon University, Royal Melbourne Institute of Technology (Australia), Surrey University, Strathclyde University, University College London, University of New South Wales (Australia), and University of Wales at Cardiff.
· Acting as an advisor for promotion or chair committees for the following 21 universities: Bilkent University (Turkey), City University, Lancaster University, Manchester Metropolitan University, Manchester University, Miami University (USA), Pittsburgh University (USA), Queen’s University of Belfast, Strathclyde University, Sunderland University, Saint Mary’s University (Halifax, Nova Scotia), University College Dublin, University College London, University of California at Santa Cruz (USA), University of Hamburg (Germany), University of Jyvaskyla (Finland), Universiti Kebangsaan (Malaysia), University of North Carolina at Chapel Hill (USA), University of Toronto (Canada), University of Wales at Aberystwyth, and University of Wales at Swansea
· Member of the Review Panel (2006 to date) for the Wheatley Medal of the Society of Indexers
·
Acting as an advisor for the Membership Panel of
the
FULL LIST OF PUBLICATIONS
FULLY
REFEREED ARTICLES
2007
· Chen, B.,
· Gardiner, E.J.,
Gillet, V.J., Willett, P. & Cosgrove, D.A. “Representing clusters using a
maximum common edge substructure algorithm applied to reduced
graphs and molecular graphs.” Journal of
Chemical Information and Modeling, 47,
2007, 354-366.
· Willett, P. “A bibliometric analysis of
chemoinformatics.” Aslib Proceedings, in the press.
· Willett, P. “A bibliometric analysis of the Journal of Molecular Graphics and Modelling”,
Journal of Molecular Graphics and Modelling,
in the press.
· Willett, P.,
2006
·
Hert, J., Willett, P.,
·
· Chen, B., Harrison, R.F., Pasupa,
K.,
·
Barker, E.J., Buttar, D., Cosgrove, D.A., Gardiner,
E.J., Gillet, V.J., Kitts, P. & Willett, P. “Scaffold-hopping using clique detection
applied to reduced graphs.” Journal
of Chemical Information and Modeling, 46, 2006,
503-511.
·
·
Mpamhanga, C.P., Chen,
B., McLay, I.M. & Willett, P. “Knowledge
based interaction fingerprint scoring: a simple method for improving the
effectiveness of fast scoring functions.”
Journal of Chemical Information and Modeling, 46,
2006, 686-698.
· Hirons, L., Gardiner, E.J.,
Hunter, C.A. & Willett, P.
“Structural DNA profiles: single sequence queries.” Journal
of Chemical Information and Modeling, 46, 2006, 743-752.
·
Gardiner, E.J., Hirons, L., Hunter, C.A.
& Willett, P. “Genomic data analysis
using DNA structure: an analysis of conserved nongenic sequences and
ultraconserved elements.” Journal of
Chemical Information and Modeling, 46, 2006, 753-761.
· Bohl, M., Wendt, B., Heritage, T.H., Richmond, N. &
Willett, P. “Unsupervised 3D ring template searching as an ideas generator for
scaffold hopping by LAMDA, RigFit and Field-Based Similarity Search (FBSS)
methods.” Journal of Chemical Information and Modeling, 46, 2006, 1882-1890.
· Penas, C.S. & Willett, P. “Gender differences in
publication and citation counts in librarianship and information science
research”. Journal of Information Science, 32, 480-485.
· Kennewell, E.A., Willett, P., Ducrot, P. &
Luttmann, C., “Identification of target-specific bioisosteric fragments from
ligand-protein crystallographic data.” Journal of Computer-Aided Molecular Design,
20, 2006, 385-394.
· Whittle,
M., Gillet, V.J., Willett, P. & Loesel, J.
“Analysis of data fusion methods in virtual screening: theoretical model”. Journal of Chemical Information and
Modeling, 46, 2006, 2193-2205.
· Whittle,
M., Gillet, V.J., Willett, P. & Loesel, J.
“Analysis of data fusion methods in virtual screening: similarity and
group fusion”. Journal of Chemical
Information and Modeling, 46, 2006, 2206-2219.
· Willett, P. “Similarity-based virtual screening using 2D fingerprints.” Drug
Discovery Today, 11, 2006,
1046-1053.
·
· Willett, P. “Enhancing the effectiveness of ligand-based
virtual screening using data fusion.” QSAR and Combinatorial Science, 25, 2006, 1143-1152.
2005
·
Artymiuk, P.J., Spriggs, R.V & Willett,
P. “Graph theoretic methods for the
analysis of structural relationships in biological macromolecules”. Journal of the American Society for
Information Science and Technology, 56,
2005, 518-528.
·
Bayley, M.J., Gardiner, E.J., Willett, P.
& Artymiuk, P.J. “A Fourier
fingerprint-based method for protein surface representation.” Journal of Chemical Information and Modeling,
45, 2005, 696-707.
·
Hirons, L.,
Holliday, J.D., Jelfs, S.P., Willett, P. & Gedeck, P. “Use of the R-Group Descriptor for alignment-free
QSAR.” QSAR and Combinatorial
Science, 24, 2005, 611-619.
·
Holliday, J.D., Salim, N. & Willett, P.
“On the magnitudes of coefficient values in the calculation of chemical
similarity and dissimilarity” American Chemical Society Symposium Series,
894, 2005, 77-95.
· Hert,
J., Willett, P.,
·
2004
·
Holliday, J.D., Rodgers, S.L., Willett, P.,
Chen, M.-Y., Mahfouf, M., Lawson, K. & Mullier, G. “Clustering files of
chemical structures using the fuzzy k-means clustering method”. Journal of Chemical Information and
Computer Sciences, 44, 2004, 894-902.
·
Hert, J., Willett, P.,
·
· Whittle, M., Gillet, V.J., Willett, P., Alex, A. &
Losel, J. “Enhancing the effectiveness
of virtual screening by fusing nearest-neighbour lists: A comparison of
similarity coefficients” Journal
of Chemical Information and Computer Sciences, 44, 2004, 1840-1848.
· Gardiner, E.J., Hunter,
·
Hert, J., Willett, P.,
2003
·
Gaizauskas, R., Demetriou, G., Artymiuk, P.J.
& Willett, P. “Protein structures and information extraction from
biological texts: the PASTA system”. Bioinformatics,
19, 2003, 135-143.
·
Brown, N., Willett, P.,
·
Raymond, J.W., Blankley, C.J. & Willett,
P. “Comparison of chemical clustering methods using graph-based and
fingerprint-based similarity measures”. Journal
of Molecular Graphics and Modelling, 21,
2003, 421-433.
·
Raymond, J.W. & Willett, P. “A line graph algorithm for clustering
chemical structures based on common substructural cores”. MATCH, 48,
2003, 197-207.
·
Gillet, V.J., Willett, P. & Bradshaw,
J. “Similarity searching using reduced
graphs”. Journal of Chemical Information
and Computer Sciences, 43,
2003, 338-345.
·
Holliday, J.D., Jelfs, S.P., Willett, P.
& Gedeck, P. “Calculation of
inter-substituent similarity using R-group descriptors”. Journal of Chemical Information and
Computer Sciences, 43, 2003, 406-411.
·
Spriggs, R.V., Artymiuk, P.J. & Willett,
P. “Searching for patterns of amino acids in 3D protein structures”. Journal of Chemical Information and
Computer Sciences, 43, 2003, 412-421.
·
Salim, N., Holliday, J.D. & Willett, P.
“Combination of fingerprint-based similarity coefficients using data
fusion”. Journal of Chemical
Information and Computer Sciences, 43,
2003, 435-442.
·
Rhodes, N., Willett, P., Calvet, A. &
Humblet, A. “CLIP: Similarity searching
of 3D databases using clique detection”.
Journal of Chemical Information and Computer Sciences, 43, 2003, 443-448.
·
Whittle, M., Willett, P., Klaffke, W. &
van Noort, P. “Evaluation of similarity
measures for searching the Dictionary of Natural Products
database”. Journal of Chemical
Information and Computer Sciences, 43,
2003, 449-457.
·
·
Gardiner, E.J., Willett, P. & Artymiuk, P.J. “GAPDOCK: A genetic
algorithm approach to protein docking in
·
Holliday, J.D., Salim, N.,
Whittle, M. & Willett, P. “Analysis and display of the size dependence of
chemical similarity coefficients”, Journal of
Chemical Information and Computer Sciences, 43, 2003,
819-828.
·
Bishop, N., Gillet, V.J., Holliday, J.D.
& Willett, P. “Chemoinformatics
research at the
·
Raymond, J.W. & Willett, P. “Similarity
searching in databases of flexible 3D structures using smoothed bounded
distance matrices”, Journal of Chemical
Information and Computer Sciences, 43, 2003,
908-916.
· Gardiner, E.J., Hunter,
· Alemayehu, N. & Willett,
P. “The effectiveness of stemming for the retrieval of Amharic language
text.” Program, 37, 2003,
254-259.
·
2002
· Raymond,
J.W., Gardiner, E.J. & Willett, P. “Heuristics for similarity searching of
chemical graphs using a maximum common edge subgraph algorithm.” Journal
of Chemical Information and Computer Sciences, 42, 2002,
305-316.
· Gillet,
V.J., Khatib, W., Willett, P., Fleming, P.J. & Green, D.S.V. “Combinatorial
library design: using a multiobjective genetic algorithm.” Journal
of Chemical Information and Computer Sciences, 42,
2002, 375-385.
·
Gillet, V.J., Willett, P., Fleming, P.J.
& Green, D.V.S. “Designing focused libraries using MoSELECT.” Journal
of Molecular Graphics and Modelling,
20, 2002, 491-498.
· Holliday, J.D., Hu, C.-Y.
& Willett, P. “Grouping of coefficients for the calculation of
inter-molecular similarity and dissimilarity using 2D fragment
bit-strings.” Combinatorial Chemistry and High-Throughput Screening, 5, 2002,
155-166.
·
Nakayama, S.-I. & Willett, P. “A sphere-based descriptor for matching
protein structures.” Journal of
Molecular Modelling, 8, 2002,
199-207.
·
Alemayehu, N. & Willett, P. “Stemming of Amharic words for information
retrieval.” Literary and Linguistic
Computing, 17,
2002, 1-17.
·
Raymond, J.W. & Willett, P.
“Effectiveness of graph-based and fingerprint-based similarity measures for virtual
screening of 2D chemical structure databases”, Journal of Computer-Aided
Molecular Design, 16,
2002, 59-71.
·
Raymond, J.W., Gardiner, E.J. & Willett,
P. “RASCAL: Calculation of graph
similarity using maximum common edge subgraphs”. Computer
Journal, 45,
2002, 631-644.
·
· Raymond,
J.W. & Willett, P. “Maximum common subgraph isomorphism algorithms for the
matching of chemical structures”. Journal
of Computer-Aided Molecular Design, 16,
2002, 521-533.
·
Bohl, M.,
· Ashton,
M., Barnard, J., Casset, F., Charlton, M.,
2001
· Verdonk, M.L., Cole, J.C.,
Watson, P., Gillet, V.J. & Willett, P.
“SuperStar: improved knowledge-based interaction fields for protein
binding sites.” Journal of Molecular Biology, 307,
2001, 841-859.
· Gardiner, E.J., Willett, P.
& Artymiuk, P.J. “Native protein
docking using a genetic algorithm.” Proteins: Structure, Function and Genetics,
44, 2001, 44-56.
· Redman, J., Willett, P.,
Allen, F.H. & Taylor, R. “A citation analysis of the Cambridge
Crystallographic Data Centre.” Journal of Applied Crystallography, 34,
2001, 375-380.
· Gaizauskas, R., Herring, P.,
Oakes, M., Beaulieu, M., Willett, P., Fowkes, H. & Jonsson, A. “Intelligent
access to text: integrating information extraction technology into text
browsers.” In: Proceedings of Human Language Technology
Conference 2001 (HLT 2001), pp. 189-193.
· Jewell, N.E., Turner, D.B.,
Willett, P. & Sexton, G.J. “Automatic generation of alignments for 3D QSAR
analyses.” Journal of Molecular Graphics and Modelling, 20, 2001,
111-121.
· Watson, P., Willett, P.,
Gillet, V.J. & Verdonk, M.L. “Calculating the knowledge-based similarity of
functional groups using crystallographic data.”
Journal of Computer-Aided
Molecular Design, 15, 2001, 835-857.
2000
· Willett, P. “Textual and
chemical information retrieval: different applications but similar
algorithms.” Information Research, 5(2), 2000, at URL
http://InformationR.net/ir/5-2/infres52.html
· Ekmekcioglu, F.C. &
Willett, P. “Effectiveness of stemming for Turkish text retrieval.” Program,
34, 2000, 195-200.
· Turner, D.B. & Willett,
P. “Evaluation of the EVA descriptor for
QSAR studies. 3. The use of a genetic
algorithm to search for models with enhanced predictive properties
(EVA_GA).” Journal of Computer-Aided Molecular Design, 14, 2000, 1-21.
· Rhodes, N., Willett, P.,
Dunbar, J. & Humblet, C. “Bit-string
methods for selective compound acquisition.”
Journal of Chemical Information
and Computer Sciences, 40, 2000,
210-214.
· Gardiner, E.J., Willett, P.
& Artymiuk, P.J. “Graph-theoretic techniques for macromolecular
docking” Journal of Chemical Information and Computer Sciences, 40, 2000, 273-279.
· Schuffenhauer, A, Gillet,
V.J. & Willett, P. “Similarity
searching in files of 3D chemical structures: analysis of the BIOSTER database
using 2D fingerprints and molecular field descriptors.” Journal
of Chemical Information and Computer Sciences, 40, 2000, 295-307.
· Turner, D.B. & Willett,
P. “The EVA spectral descriptor.” European Journal of Medicinal Chemistry,
35, 2000, 367-375.
· Furner, J, Ellis, D. &
Willett, P. “Inter-linker consistency in the manual construction of hypertext
documents.” ACM Computing Surveys Symposium
on Hypertext and Hypermedia, at the following URLs:
http://www.acm.org/pubs/contents/journals/surveys/1999-31 and
http://www.acm.org/sigweb/ComputingSurveysSymposium/.
· Edgar, S.J., Holliday, J.D.
& Willett, P. “Effectiveness of retrieval in similarity searches of
chemical databases: a review of performance measures.” Journal
of Molecular Graphics and Modelling, 18,
2000, 343-357.
· Ginn, C.M.R., Willett, P.
& Bradshaw, J. “Combination of molecular similarity measures using data
fusion.” Perspectives in Drug Discovery and Design, 20, 2000, 1-16.
· Thomas, O. & Willett,
P. “Webometric analysis of departments
of librarianship and information science.”
Journal of Information Science, 26,
2000, 421-428.
1999
· Neilson, K. & Willett,
P. “
· Turner, D.B., Willett, P.,
· Gillet, V.J., Willett, P.,
Bradshaw, J. & Green, D. “Selecting
combinatorial libraries to optimise diversity and physical properties.” Journal
of Chemical Information and Computer Sciences, 39, 1999, 169-177.
· Quarmby, K.L., Willett, P.
& Wood, F.E. “Follow-up study of graduates from the MSc Information
Management programme at the
·
Jones, G., Willett, P., Glen,
R.C., Leach, A.R. & Taylor, R.
“Further development of a genetic algorithm for ligand docking and its
application to screening combinatorial libraries.” ACS Symposium Series (Rational
Drug Design: Novel Methodology and Practical Applications), 719,
1999, 271-291.
·
Turner, D.B., Willett, P.,
· Seel, M., Turner, D.B. &
Willett, P. “Effect of parameter variations on the effectiveness of HQSAR
analyses.” Quantitative Structure-Activity Relationships, 18, 1999, 245-252.
· Bayley, M.J. & Willett,
P. “Binning schemes for partition-based
compound selection.” Journal of Molecular Graphics and Modelling,
17, 1999, 10-18.
· Willett, P.
“Dissimilarity-based algorithms for selecting structurally diverse sets of
compounds.” Journal of Computational Biology, 6, 1999, 447-457.
1998
· Robertson, A.M. &
Willett, P. “Applications of n-grams
in textual information systems”. Journal of Documentation, 54, 1998, 48-69.
· Bayley, M.J., Jones, G.,
Willett, P. & Williamson, M.P. “GENFOLD: a genetic algorithm for folding
protein structures using NMR restraints”.
Protein Science, 7, 1998, 491-499.
· Gillet, V.J., Willett, P.
& Bradshaw, J. "Identification of biological activity profiles using
substructural analysis and genetic algorithms". Journal
of Chemical Information and Computer Sciences, 38, 1998, 165-179.
·
· Thorner, D.A., Wild, D.J.,
Willett, P. & Wright, P.M. “Calculation of structural similarity by the
alignment of molecular electrostatic potentials”. Perspectives
in Drug Discovery and Design, 9-11,
1998, 301-320.
· Heritage, T.W.,
· Gardiner, E.J., Holliday,
J.D., Willett, P.,
· Cosgrove, D.A. & Willett,
P. “SLASH: a program for analysing the
functional groups in molecules.” Journal of Molecular Graphics and Modelling,
16, 1998, 19-32.
· Drayton, S.K., Edwards, K.,
Jewell, N.E., Turner, D.B., Wild, D.J., Willett, P., Wright, P.M. &
Simmons, K. “Similarity searching in
files of three-dimensional chemical structures: identification of bioactive
molecules.” Internet Journal of Chemistry, at URL
http://www.ijc.com/articles/1998v1/37/.
· Schinke, R., Greengrass, M.,
Robertson, A.M. & Willett, P. “Retrieval of morphological variants in
searches of Latin text databases”. Computers and the Humanities, 31, 1998, 409-432.
·
Willett, P., Barnard, J.M. &
Downs, G.M. “Chemical similarity
searching.” Journal of Chemical Information and Computer Sciences, 38, 1998, 983-996.
· Gillet, V.J., Wild, D.J.,
Willett, P. & Bradshaw, J.
“Similarity and dissimilarity methods for processing chemical structure
databases.” Computer Journal, 41,
1998, 547-558.
1997
· Turner, D.B., Tyrrell, S.M.
& Willett, P. "Rapid quantification of molecular diversity for
selective database acquisition". Journal of Chemical Information and Computer
Sciences, 37, 1997, 18-22.
· Ginn, C.M.R., Turner, D.B.,
Willett, P.,
· Thorner, D.A., Willett, P.,
Wright, P.M. & Taylor, R. "Similarity searching in files of
three-dimensional chemical structures: representation and searching of
molecular electrostatic potentials using field-graphs". Journal
of Computer-Aided Molecular Design, 11,
1997, 163-174.
· Jones, G., Willett, P., Glen,
R.C., Leach, A.R. & Taylor, R. “Development and validation of a genetic
algorithm for flexible docking.” Journal of Molecular Biology, 267, 1997, 727-748.
· Artymiuk, P.J., Poirrette,
A.R., Rice, D.W. & Willett, P. “A polymerase I palm in adenylyl
cyclase?” Nature, 388, 1997,
33-34.
· Gillet, V.J., Willett, P.
& Bradshaw, J. "The effectiveness
of reactant pools for generating structurally diverse combinatorial
libraries". Journal of Chemical Information and Computer Sciences, 37, 1997, 731-740.
· Turner, D.B., Willett, P.,
· Bruno, I.J.,
· Poirrette, A.R., Artymiuk,
P.J., Rice, D.W. & Willett, P. “Comparison of protein surfaces using a
genetic algorithm”. Journal of
Computer-Aided Molecular Design, 11,
1997, 557-569.
· Snarey, M., Terret, N.K.,
Willett, P. & Wilton, D.J. “Comparison of algorithms for
dissimilarity-based compound selection.”
Journal of Molecular Graphics and
Modelling, 15, 1997, 372-385.
· Greengrass, M., Schinke, R.,
Robertson, A.M. & Willett, P. "PhiloFacs: a tool for searching Latin
text databases". History and Computing, 9, 1997, 29-35.
· Holliday, J.D. & Willett,
P. “Identification of common structural features in sets of ligands using a
genetic algorithm”. Journal of Molecular Graphics and Modelling, 15, 1997, 221-232.
· Gardiner, E.J., Artymiuk,
P.J. & Willett, P. “Clique-detection algorithms for matching
three-dimensional molecular structures.”
Journal of Molecular Graphics and
Modelling, 15, 1997, 245-253.
1996
· Artymiuk, P.J., Poirrette,
A.R., Rice, D.W. & Willett, P. "Biotin carboxylase comes into the
fold". Nature Structure Biology, 3,
1996, 128-132.
· Ellis, D., Furner-Hines, J.
and Willett, P. "On the creation of hypertext links in full-text
documents: measurement of retrieval effectiveness". Journal
of the American Society for Information Science, 47, 1996, 287-300.
· Ekmekçioglu, F.C., Lynch,
M.F., Robertson, A.M., Sembok, T.M.T. & Willett, P. "Comparison of n-gram matching and stemming for term
conflation in English, Malay and Turkish texts". Text
Technology, 6(1), 1996, 1-14.
· Wild, D.J. & Willett, P.
"Similarity searching in files of three-dimensional chemical structures:
alignment of molecular electrostatic potentials with a genetic
algorithm". Journal of Chemical Information and Computer Sciences, 36, 1996, 159-167.
· Thorner, D.A., Wild, D.J.,
Willett, P. & Wright, P.M.
"Similarity searching in files of three-dimensional chemical
structures: flexible field-based searching of molecular electrostatic
potentials". Journal of Chemical Information and Computer Sciences, 36, 1996, 900-908.
· Schinke, R., Greengrass, M.,
Robertson, A.M. & Willett, P. "A stemming algorithm for Latin text
databases". Journal of Documentation , 52,
1996, 172-187.
· Holliday, J.D. & Willett,
P. "Definitions of ‘dissimilarity’ for dissimilarity-based compound
selection". Journal of Biomolecular Screening, 1, 1996, 145-151.
· Robertson, A.M & Willett,
P. "An upperbound to the performance of ranked-output searching: optimal
weighting of query terms using a genetic algorithm". Journal
of Documentation, 52, 1996,
405-420.
1995
· Jones, G., Willett, P. &
Glen, R.C. "Molecular recognition of receptor sites using a genetic
algorithm with a description of desolvation". Journal
of Molecular Biology, 245, 1995,
43-53.
· Lim, B.S. & Willett, P.
"The citedness of publications by
· Artymiuk, P.J., Rice, D.W.,
Poirrette, A.R. & Willett, P. "-glucosyl transferase and phosphorylase reveal their common
theme". Nature Structural Biology, 2,
1995, 117-120.
· Allen, F.H.,
· Kirriemuir, J. W. &
Willett, P. "Identification of duplicate and near-duplicate full-text
records in database-search outputs using hierarchic cluster analysis". Program,
29, 1995, 241-256.
·
· Furner, J. & Willett, P.
"A survey of hypertext-based public-access point-of-information systems in
· Turner, D.B., Willett, P.,
· Willett, P. "Genetic
algorithms in molecular recognition and design". Trends
in Biotechnology, 13, 1995,
516-521.
·
· Jones, G., Willett, P. &
Glen, R.C. "A genetic algorithm for flexible molecular overlay and
pharmacophore detection". Journal of Computer-Aided Molecular Design,
9, 1995, 532-549.
· Willett, P. "Searching
for pharmacophoric patterns in databases of three-dimensional chemical
structures". Journal of Molecular Recognition, 8, 1995, 290-303.
· Holliday, J.D., Ranade, S.S.
& Willett, P. "A fast algorithm for selecting sets of dissimilar
structures from large chemical databases".
Quantitative Structure-Activity
Relationships, 14, 1995,
501-506.
· Ingwersen, P. & Willett,
P. "An introduction to algorithmic and cognitive approaches for
information retrieval". Libri, 45, 1995, 160-177.
· Ekmekçioglu, F.C., Lynch,
M.F. & Willett, P. "Development and evaluation of conflation
techniques for the implementation of a document retrieval system for Turkish
text databases". New Review of Document and Text Management,
1, 1995, 131-146.
1994
· Ellis, D., Furner-Hines, J.
& Willett, P. "Measuring the degree of similarity between objects in
text retrieval systems". Perspectives in Information Management, 3, 1994, 128-149.
· Brown, R.D.,
· Artymiuk, P.J., Grindley,
H.M., Poirrette, A.R., Rice, D.W., Ujah, E.C. & Willett, P.
"Identification of -sheet motifs, of -loops and of patterns of amino-acid residues in three-dimensional
protein structures using a subgraph-isomorphism algorithm". Journal
of Chemical Information and Computer Sciences, 34, 1994, 54-62.
· Brown, R.D., Jones, G.J.,
Willett, P. & Glen, R.C. "Matching two-dimensional chemical graphs
using genetic algorithms". Journal
of Chemical Information and Computer Sciences, 34, 1994, 63-70.
·
·
· Wild, D.J. & Willett, P.
"Similarity searching in files of three-dimensional chemical
structures. Implementation of atom
mapping on the Distributed Array Processor DAP-610, The MasPar MP-1104 and the
Connection Machine CM-200". Journal of Chemical Information and Computer
Sciences, 34, 1994, 224-231.
· Jones, G., Robertson, A.M.
& Willett, P. "An introduction to genetic algorithms and to their use
in information retrieval". Online and CD-ROM Review, 18, 1994, 3-13.
· Ellis, D., Furner-Hines, J.
& Willett, P. "On the creation of hypertext links in full-text
documents: measurement of inter-linker consistency". Journal of Documentation, 50,
1994, 67-98.
· Ellis, D., Furner-Hines, J.
& Willett, P. "On the measurement of inter-linker consistency and
retrieval effectiveness in hypertext databases". In: Croft, W.B. & van Rijsbergen,
C.J. (editors) Proceedings of the
Seventeenth International Conference on Research and Development in Information
Retrieval. pp. 51-60.
· Robertson, A.M. &
Willett, P. "Generation of equifrequent groups of words using a genetic
algorithm". Journal of Documentation,
50, 1994, 213-232.
·
· Poirrette, A.R., Artymiuk,
P.J., Grindley, H.M., Rice, D.W. & Willett, P. "Structural similarity
between binding sites in influenza sialidase and isocitrate dehydrogenase:
implications for an alternative approach to rational drug design". Protein Science, 3, 1994, 1128-1130.
· Artymiuk, P.J., Poirrette,
A.R., Grindley, H.M., Rice, D.W. & Willett, P. "A graph-theoretic
approach to the identification of three-dimensional patterns of amino acid
side-chains in protein structures. Journal of Molecular Biology, 243, 1994, 327-344.
· Artymiuk, P.J., Rice, D.W.,
Poirrette, A.R. & Willett, P. "A tale of two synthetases". Nature
Structural Biology, 1, 1994,
758-760.
1993
· Grindley, H.M., Artymiuk,
P.J., Rice, D.W. & Willett, P. "Identification of tertiary structure
resemblance in proteins using a maximal common subgraph isomorphism
algorithm". Journal of Molecular Biology, 229,
1993, 707-721.
· Poirrette, A.R., Willett, P.
& Allen, F.H. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: characterisation and use of generalised
torsion angle screens". Journal of Molecular Graphics, 11, 1993, 2-14.
· Artymiuk, P.J., Grindley,
H.M., Kumar, K., Rice, D.W. & Willett, P. "Three-dimensional
structural resemblance between the ribonuclease H and connection domains of HIV
reverse transcriptase revealed using graph theoretical techniques". FEBS Letters, 324, 1993, 15-21.
· Shaw, R.J. & Willett, P.
"On the non-random nature of nearest-neighbour document
clusters". Information Processing and Management, 29, 1993, 449-452.
· Robertson, A.R. &
Willett, P. "A comparison of spelling-correction methods for the
identification of word forms in historical text databases". Literary and Linguistic Computing, 8, 1993, 143-152.
· Frith, A.R., Robertson, A.M.
& Willett, P. "Effectiveness of similarity measures and of query
expansion techniques for searching databases of 16th, 17th and 18th century
English text". Journal of Document and Text Management, 1, 1993, 155-172.
· Jones, G., Brown, R.D.,
·
·
1992
· Ekmekcioglu, F.C., Robertson,
A.M. & Willett, P. "Effectiveness of query expansion in ranked-output
document-retrieval systems". Journal of Information Science, 18, 1992, 139-147.
· Artymiuk, P.J., Grindley,
H.M., Park, J.E., Rice, D.W. & Willett, P. "Three-dimensional
structural resemblance between leucine aminopeptidase and carboxypeptidase A
revealed by graph-theoretical techniques".
FEBS Letters, 303, 1992, 48-52.
· Robertson, A.M. &
Willett, P. "Searching for historical word-forms in a database of
17th-century English text using spelling-correction methods". Proceedings of the 15th International Conference
on Research and Development in Information Retrieval. pp 256-265.
· Popovic, M. & Willett, P.
"The effectiveness of stemming for natural-language access to Slovene
textual data". Journal of the American Society for Information Science, 43, 1992, 384-390.
· Bradley, S.J., Willett, P.
& Wood, F.E. "A publication and citation analysis of the Department of
Information Studies, University of Sheffield, 1980-1990". Journal
of Information Science, 18, 1992,
225-232.
· Brown, R.D.,
· Willett, P. "A review of
three-dimensional chemical structure retrieval systems". Journal of Chemometrics, 6, 1992, 289-305.
· Artymiuk, P.J., Bath, P.A.,
Grindley, H.M., Pepperrell, C.A., Poirrette, A.R., Rice, D.W., Thorner, D.A.,
Wild, D.J., Willett, P., Allen, F.H. & Taylor, R. "Similarity
searching in databases of three-dimensional molecules and
macromolecules". Journal of Chemical Information and Computer
Sciences, 32, 1992, 617-630.
· Robertson, A.M. &
Willett, P. "Retrieval techniques for historical English text: searching
the sixteenth and seventeenth century titles in the catalogue of Canterbury
Cathedral Library using spelling-correction methods". Proceedings of the Sixteenth
International Online Information Meeting, pp. 389-398.
·
1991
· Al-Hawamdeh, S., Smith, G.
& Willett, P. "Paragraph-based access to full-text documents using a
hypertext system". Program, 25, 1991, 119-132.
· Peat, H.J. & Willett, P.
"The limitations of term co-occurrence data for query expansion in
document retrieval systems". Journal of the American Society for
Information Science, 42, 1991,
378-383.
· Willett, P.,
· Cringean, J.K.,
·
·
·
· Rogers, H.J. & Willett,
P. "Searching for historical word forms in text databases using
spelling-correction methods: reverse error and phonetic coding methods". Journal of Documentation, 47, 1991, 333-353.
· Al-Hawamdeh, S., deVere, R.,
Smith, G. & Willett, P. "Using nearest neighbour searching techniques
to access full-text documents". Online Review, 15, 1991, 173-191.
· Poirrette, A.R., Willett, P.
& Allan, F.H. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: characterisation and use of generalised
valence angle screens". Journal of Molecular Graphics, 9,
1991, 203-217.
· Cringean, J.K.,
1990
· Mitchell, E.M., Artymiuk,
P.J., Rice, D.W. & Willett, P. "Use of techniques derived from graph
theory to compare secondary structure motifs in proteins". Journal of Molecular Biology, 212, 1990, 151-166.
· Al-Hawamdeh, S. &
Willett, P. "Comparison of index term weighting schemes for the ranking of
paragraphs in full-text documents". International Journal of Information and
Library Research, 1, 1989,
116-130.
· Cringean, J.K.,
· Artymiuk, P.J., Rice, D.W.,
Mitchell, E.M. & Willett, P. "Structural resemblance between the
families of bacterial signal-transduction proteins and of G proteins revealed
by graph theoretical techniques". Protein Engineering, 4, 1990, 39-43.
· Cringean, J.K.,
· Popovic, M. & Willett, P.
"Processing of documents and queries in a Slovene language free text
retrieval system". Literary and Linguistic Computing, 5, 1990, 182-190.
· Willett, P. "Processing
of three-dimensional chemical structure information using graph-theoretic
techniques". Proceedings of the Fourteenth International
Online Information Meeting. pp. 115-127.
· Ormerod, A., Willett, P.
& Bawden, D. "Further comparative studies of fragment weighting
schemes for substructural analysis".
Quantitative Structure-Activity
Relationships, 9, 1990, 302-312.
· Lynch, M.F. & Willett, P.
"Chemical structure handling: a review of current research in the
Department of Information Studies,
·
· Rasmussen, E.M., Willett, P.,
Wilson, T., Manson, G.A. & Wilson, G.A.
"Searching of chemical structure databases using parallel computer
hardware". Analytica Chimica Acta, 235,
1990, 77-86.
1989
· Rasmussen, E.M. &
Willett, P. "Efficiency of hierarchic agglomerative clustering using the
ICL Distributed Array Processor." Journal of Documentation, 45, 1989, 1-24.
· Willett, P. "Textual and
chemical information processing using parallel computer hardware". Journal
of Information Science, 15,
1989, 223-236.
· Wade, S.J., Willett, P. &
Bawden, D. "SIBRIS: the
· Artymiuk, P.J., Mitchell,
E.M., Rice, D.W. & Willett, P. "Searching techniques for databases of
protein secondary structures". Journal of Information Science, 15, 1989, 287-298.
· Willett, P. & Wood, F.E.
"Use of the INSTRUCT text retrieval program at the Department of
Information Studies,
· Brint, A.T., Davies, H.M.,
Mitchell, E.M. & Willett, P. "Rapid geometric searching in protein
structures." Journal of Molecular Graphics, 7, 1989, 48-53.
· El-Hamdouchi, A. &
Willett, P. "Comparison of hierarchic agglomerative clustering methods for
document retrieval." Computer Journal, 32, 1989, 220-227.
· Biru, T., El-Hamdouchi, A., Rees,
R.S. & Willett, P. "Inclusion of relevance information in the term
discrimination model". Journal of Documentation, 45, 1989, 85-109.
· Ormerod, A., Willett, P.
& Bawden, D. "Comparison of fragment weighting schemes for
substructural analysis". Quantitative Structure-Activity
Relationships, 8, 1989, 115-129.
· Croft, W.B., Lucia, T.J.,
Cringean, J. & Willett, P. "Retrieving documents by plausible
inference: an experimental study". Information Processing and Management, 25, 1989, 599-614.
· Al-Hawamdeh, S. &
Willett, P. "Paragraph-based nearest neighbour searching in full-text
documents". Electronic Publishing: Origination, Dissemination and Design, 2, 1989, 179-192.
· Cringean, J.K., Lynch, M.F.,
Manson, G.A., Willett, P. & Wilson, G.A. "Parallel processing
techniques for information retrieval.
Searching of textual and chemical databases using transputer
networks". Proceedings of the Thirteenth International
Online Information Meeting pp. 447-462.
1988
· Wade, S.J. & Willett, P.
"INSTRUCT: a teaching package for experimental methods in information
retrieval. Part III. Browsing, clustering and query
expansion." Program, 22, 1988, 44-61.
· El-Hamdouchi, A. &
Willett, P. "An improved algorithm for the calculation of exact term
discrimination values." Information Processing and Management, 24, 1988, 17-22.
· Rasmussen, E.M.,
· Wade, S.J., Willett, P.,
Robinson, B., Vickery, A. & Vickery, B. "A comparison of
knowledge-based and statistically-based approaches to reference
retrieval." Online Review, 12, 1988, 91-108.
· Willett, P. "Recent
trends in hierarchic document clustering: a critical review." Information Processing and Management, 24, 1988, 577-597.
· Carroll, D.M.,
· Brint, A.T., Gillet, V.J.,
Lynch, M.F., Willett, P., Manson, G.A. & Wilson, G.A. "Chemical graph
matching using transputer networks." Parallel Computing, 8, 1988, 295-300.
·
· Cringean, J.K., Manson, G.A.,
Willett, P. & Wilson, G.A. "Efficiency of text scanning in
bibliographic databases using microprocessor-based, multiprocessor
networks." Journal of Information Science, 14, 1988, 335-345.
· Brint, A.T. & Willett, P.
"Upperbound procedures for the identification of similar three-dimensional
chemical structures." Journal of Computer-Aided Molecular Design,
2, 1988, 311-320.
·
· Al-Hawamdeh, S., Ellis, D.,
Mohan, K.C., Wade, S.J. & Willett, P. "Best match document retrieval:
development and use of INSTRUCT." Proceedings of the Twelfth International
Online Information Meeting, pp. 761-777.
· Willett, P. "Software
and hardware techniques for string searching in serial document
databases." World Patent Information, 10,
1988, 120-129.
1987
· Jakes, S.E.,
· Brint, A.T. & Willett, P.
"Pharmacophoric pattern matching in files of 3D chemical structures:
comparison of geometric searching algorithms." Journal of Molecular Graphics,
5, 1987, 49-56.
· Stewart, M. & Willett, P.
"Nearest neighbour searching in binary search trees: simulation of a
multiprocessor system." Journal of Documentation, 43, 1987, 93-111.
·
· Rasmussen, E.M. &
Willett, P. "Non-hierarchic document clustering using the ICL Distributed
Array Processor." Proceedings of the 10th International
Conference on Research and Development in Information Retrieval. pp
132-139.
· Willett, P. "A review of
chemical structure retrieval systems."
Journal of Chemometrics, 1, 1987, 139-155.
· Lynch, M.F. & Willett, P.
"Information retrieval research in the Department of Information Studies,
· Lynch, M.F. & Willett, P.
"Current research into chemical and textual information retrieval at the
Department of Information Studies,
· El-Hamdouchi, A. &
Willett, P. "Techniques for the measurement of clustering tendency in
document retrieval systems." Journal of Information Science, 13, 1987, 361-365.
· Brint, A.T. & Willett, P.
"Algorithms for the identification of three-dimensional maximal common
substructures." Journal of Chemical
Information and Computer Sciences, 27,
1987, 152-158.
· Brint, A.T. & Willett, P.
"Identification of 3-D maximal common substructures using transputer
networks." Journal of Molecular Graphics, 5, 1987, 200-207.
· Willett, P.
"Effectiveness of retrieval in clustered document files." Proceedings
of the Eleventh International Online Information Meeting. pp 137-146.
1986
· McCall, F.M. & Willett,
P. "Criteria for the selection of search strategies in best match document
retrieval systems." International Journal of Man-Machine Studies,
25, 1986, 317-326.
· Griffiths, A., Luckhurst,
H.D. & Willett, P. "Using inter-document similarity information in
document retrieval systems." Journal of the American Society for
Information Science, 37, 1986,
3-11.
· Willett, P., Winterman, V.
& Bawden, D. "Implementation of nearest neighbour searching in an
online chemical structure search system."
Journal of Chemical Information
and Computer Sciences, 26, 1986, 36-41.
· Jakes, S.E. & Willett, P.
"Pharmacophoric pattern matching in files of 3-D chemical structures:
selection of inter-atomic distance screens." Journal
of Molecular Graphics, 4, 1986,
12-20.
· Willett, P. & Winterman,
V. "A comparison of some measures of inter-molecular structural
similarity." Quantitative Structure-Activity Relationships,
5, 1986, 18-25.
· Hendry, I. G., Willett, P.
and Wood, F. E. "INSTRUCT: a teaching package for experimental methods in
information retrieval. Part I. The users' view." Program, 20, 1986, 245-263.
· Hendry, I.G., Willett, P. and
Wood, F.E. "INSTRUCT: a teaching package for experimental methods in
information retrieval. Part II. Computational aspects." Program,
20, 1986, 382-393.
· Walker, J.R. & Willett,
P. "Compression of nucleic acid and protein sequence data." Computer Applications in the Biosciences,
2, 1986, 89-93.
· Willett, P., Winterman, V.
& Bawden, D. "Implementation of non-hierarchic cluster analysis
methods in chemical information systems: selection of compounds for biological
testing and clustering of substructure search output." Journal
of Chemical Information and Computer Sciences, 26, 1986, 109-118.
· Gillet, V.J., Welford, S.M.,
Lynch, M.F., Willett, P., Barnard, J.M.,
· El-Hamdouchi, A. &
Willett, P. "Hierarchic document clustering using Ward's method." Proceedings of the 9th International
Conference on Research and Development in Information Retrieval. pp
149-156.
1985
· Willett, P.
"Query-specific automatic document classification." International
Forum on Information and Documentation, 10, 1985, 28-32.
· Willett, P. "Clustering
tendency in chemical classifications."
Journal of Chemical Information
and Computer Sciences, 25, 1985,
78-80.
· Willett, P. "An
algorithm for chemical superstructure searching." Journal
of Chemical Information and Computer Sciences, 25, 1985, 114-116.
· Willett, P. "An
algorithm for the calculation of exact term discrimination values." Information Processing and Management, 21, 1985, 225-232.
· Mohan, K.C. & Willett, P.
"Nearest neighbour searching in serial files using text signatures." Journal of Information Science, 11, 1985, 31-39.
· Willett, P. "Ranked
output searching in textual and structural data bases." Proceedings of the 9th International Online
Information Meeting. pp. 343-353.
1984
· Willett, P. "A note on
the use of nearest neighbours for implementing single linkage document
classifications." Journal of the American Society for
Information Science, 35, 1984,
149-152.
· Willett, P. "An
evaluation of relocation clustering algorithms for the automatic classification
of chemical structures." Journal of Chemical Information and Computer
Sciences, 24, 1984, 29-33.
· Willett, P. "A nearest
neighbour search algorithm for bibliographic retrieval from multi-list
files." Information Technology: Research and Development, 3, 1984, 78-83.
· Griffiths, A., Robinson, L.A.
& Willett, P. "Hierarchic agglomerative clustering methods for
automatic document classification." Journal of Documentation, 40, 1984, 175-205.
·
1983
· Harding, A.F., Lynch, M.F.
& Willett, P. "Document retrieval using a serial bit string
search." Information Processing and Management, 19, 1983, 1-8.
· Willett, P. "Some
heuristics for nearest neighbour searching in chemical structure
files." Journal of Chemical Information and Computer Sciences, 23, 1983, 22-25.
· Rubin, V. & Willett, P.
"A comparison of some hierarchal monothetic divisive clustering algorithms
for structure property correlation."
Analytica Chimica Acta, 151, 1983, 161-166.
·
· Angell, R.C., Freund, G.E.
& Willett, P. "Automatic spelling correction using a trigram
similarity measure." Information Processing and Management, 19, 1983, 255-261.
· Willett, P. "Similarity
coefficients and weighting functions for automatic document classification: an
empirical comparison." International Classification, 10, 1983, 138-142.
1982
·
· Willett, P. "A
comparison of some hierarchal agglomerative clustering algorithms for structure
property correlation." Analytica Chimica Acta, 136, 1982, 29-37.
· Freund, G.E. & Willett,
P. "Online identification of word variants and arbitrary truncation
searching using a string similarity measure." Information Technology: Research
and Development, 1, 1982,
177-187.
· Willett, P. "The
calculation of inter-molecular similarity coefficients using an inverted file
algorithm." Analytica Chimica Acta, 138, 1982, 339-342.
1981
· Willett, P. "A fast
procedure for the calculation of similarity coefficients in automatic
classification." Information Processing and Management, 17, 1981, 53-60.
· Bawden, D., Catlow, J.T.,
Devon, T.K.,
· McGregor, J.J. & Willett,
P. "Use of a maximal common subgraph algorithm in the automatic identification
of the ostensible bond changes occurring in chemical reactions." Journal of Chemical Information and Computer
Sciences, 21, 1981, 137-140.
· Barnard, J.M. & Willett,
P. "Comments on a method for generating a chemical reaction index for
storage and retrieval of information."
Journal of Chemical Information
and Computer Sciences, 21, 1981,
140-141.
· Lennon, M., Peirce, D.S.,
Tarry, B.D. & Willett, P. "An evaluation of some conflation algorithms
for information retrieval." Journal of Information Science, 3, 1981, 177-183.
1980
· Willett, P. "The
evaluation of an automatically indexed, machine-readable chemical reactions
file." Journal of Chemical Information and Computer Sciences, 20, 1980, 93-96.
· Harding, A.F. & Willett,
P. "Indexing exhaustivity and the computation of similarity
matrices." Journal of the American Society for Information Science, 31, 1980, 298-300.
· Willett, P. "Document
clustering using an inverted file approach." Journal of Information Science,
2, 1980, 223-231.
1979
· Bawden, D., Devon, T.K.,
· Willett, P. "Computer
techniques for the indexing of chemical reaction information." Journal
of Chemical Information and Computer Sciences, 19, 1979, 156-158.
· Willett, P. "A screen
set generation algorithm." Journal of Chemical Information and Computer
Sciences, 19, 1979, 159-162.
· Gannon, M.T. & Willett,
P. "Sampling considerations in the selection of fragment screens for
chemical substructure search systems."
Journal of Chemical Information
and Computer Sciences, 19, 1979,
251-253.
· Willett, P. "The effect
of screen set size on retrieval from chemical substructure search
systems." Journal of Chemical Information and Computer Sciences, 19, 1979, 253-255.
· Burnett, J.E., Cooper, D.,
Lynch, M.F., Willett, P. &
Wycherley, M. "Document retrieval experiments using indexing
vocabularies of varying size. I. Variety generation symbols assigned to the
fronts of index terms." Journal of Documentation, 35, 1979, 197-206.
· Willett, P. "Document
retrieval experiments using indexing vocabularies of varying size. II. Hashing,
truncation, digram and trigram encoding of index terms." Journal
of Documentation, 35, 1979,
296-305.
1978
· Evans,
· Lynch, M.F. & Willett, P.
"The production of machine-readable descriptions of chemical reactions
using Wiswesser Line Notations." Journal of Chemical Information and Computer
Sciences, 18, 1978, 149-154.
· Lynch, M.F. & Willett, P.
"The automatic detection of chemical reaction sites." Journal
of Chemical Information and Computer Sciences, 18, 1978, 154-159.
1977
· Willett, P. "The
automatic analysis of chemical reaction data." Information Scientist, 11, 1977, 125-135.
UNREFEREED OR
PARTIALLY REFEREED ARTICLES, INVITED CONTRIBUTIONS, ETC.
2007
·
Gillet, V.J. & Willett,
P. “Compound selection using measures of similarity and
dissimilarity.” In: Triggle,
D.J. & Taylor, J.B. (editors). Comprehensive
Medicinal Chemistry II. Vol. 4 pp.
167-192.
·
· Holliday, J.D. & Willett, P. “The influence of the
DARC Project on chemoinformatics research at the
· Stock, E. & Willett, P. “Positively ageing.” Public
Library Journal, Summer, 2007, 26-29.
· Pasupa, K., Harrison, R.F. & Willett, P. “Parsimonious
kernel Fisher discrimination.” In:
Martí, J., Benedí, J.M., Mendonça, A.M. & Serrat, J. (editors). Pattern
Recognition and Image Analysis: Third Iberian Conference, IbPRIA 2007. pp. 531-538.
· Willett, P. “Chemoinformatics.” In: Bates, M.J. (editor). Encyclopedia
of Library and Information Sciences, in the press.
2006
·
Hert, J., Willett, P. & Wilton, D.J. “New
methods for similarity-based virtual screening”. In: Jacoby, E. (editor). Chemogenomics: Knowledge-Based Approaches
to Drug Discovery. pp. 133-156.
·
Gillet,
V.J. & Willett, P. “Chemoinformatics
techniques for processing chemical structure databases.” In: Ekins, S. (editor). Computer Applications in Pharmaceutical
Research and Development. pp.
187-208.
·
Willett, P.
“The Porter stemming algorithm: then and now.” Program,
40, 2006,
219-223.
· Willett,
P. “Education for chemoinformatics.”
Proceedings of the Workshop Chemoinformatics
in Europe: Research and Teaching
2005
· Willett, P. “The evaluation of retrieval effectiveness
in chemical database searching.” In:
Tait, J.I. (editor). Charting a New
Course: Natural Language Processing and Information Retrieval. Essays in Honour of Karen Spärck Jones. pp. 239-254.
· Willett, P.
“Searching techniques for databases of two- and three-dimensional chemical structures.” Journal of Medicinal Chemistry, 48, 2005, 4183-4199.
· Gardiner, E.J., Willett, P., & Artymiuk, P.J. “Use of wavelets to compress three-dimensional
protein maps.” In: Barber, S., Baxter,
P.D., Mardia, K.V. & Walls, R.E. (editors).
Quantitative Biology, Shape Analysis, and Wavelets. pp. 129-131. Leeds:
· Chen, B.,
·
Willett, P.
“Chemoinformatics techniques for data mining in files of two-dimensional
and three-dimensional chemical molecules.” In: Petitjean, M.
(editor). Proceedings of the Third
Conference on the Foundations of Information Science, Paris 4-7 July 2005.Basel:
MDPI At http://www.mdpi.org/fis2005/proceedings.html
· Hert, J., Willett, P & Wilton, D.J. “Virtual
screening using binary kernel discrimination.”
In: Hicks, M.G. & Kettner, C. (editors). Proceedings of the International Beilstein
Workshop “The Chemical Theatre of Biological Systems”. pp. 119-131.
2004
·
Willett, P. “Digital libraries in
chemistry: Providing access to chemical structure information.” In: Proceedings of International Symposium on Digital Libraries and Knowledge Communities in
Networked Information Society 2004. pp. 33-39.
·
Willett, P. “A history of chemoinformatics.” In:
Gasteiger, J. (editor). Handbook of Chemoinformatics. pp. 6-20.
Weinheim: Wiley-VCH, 2003.
·
Willett, P. “Similarity searching
in chemical structure databases”. In:
Gasteiger, J. (editor). Handbook of
Chemoinformatics. pp. 904-915. Weinheim: Wiley-VCH, 2003.
· Willett, P. “The evaluation
of molecular similarity and molecular diversity methods using biological
activity data.” In: Bajorath, J,
(editor). Chemoinformatics: Concepts,
Methods, and Tools for Drug Discovery.
pp. 51-63.
· Willett, P. “Chemoinformatics: an application domain for information retrieval
techniques.” In: Proceedings of
the Twenty Seventh International Conference on Research and Development in
Information Retrieval. p. 393.
· Salim, N., Holliday, J.D. & Willett, P. “On the significance of topological-indices
based non-binary molecular similarity measures.” Sains Malaysiana, 33(2), 2004,
157-172.
2003
·
· Willett, P. “Similarity-based
approaches to virtual screening.” Biochemical
Society Transactions, 31, 2003, 603-606.
·
Willett, P.
“Forty years on: the Department of Information Studies at the
·
Raymond, J.W. & Willett, P. “Calculation
of 2D molecular similarity using a maximum common edge subgraph isomorphism
algorithm.” In: Ford, M., Livingstone,
D., Dearden, J. & Van de Waterbeemd, H. (editors). EuroQSAR 2002. Designing Drugs and Crop Protectants:
Processes, Problems and Solutions. pp.
421-427.
2002
· Gillet,
V.J. & Willett, P. “Computational methods for the analysis of molecular
diversity” In: van der Goot, H. (editor) Trends in Drug Research III. pp. 125-133.
·
Willett,
P. “Applications of information retrieval methods in computer-aided drug
discovery”. Jurnal Teknologi Maklumat,
1, 2001, 17-31.
·
·
Nakayama, S.-I., Mitsusada, E., Willett, P. &
Yoshida, M. “A similarity score of protein three dimensional structures by hard
ball model using a genetic algorithm (2): Overlapping of helix and sheet portions”. Journal
of Computer-Aided Chemistry, 3, 2002,
117-123.
·
·
Willett, P. “Combinatorial
libraries and the evaluation of diversity”. Pharmaceutical News, 9, 2002, 189-194.
2001
· Willett, P. “Similarity
searching in chemical databases using molecular fields and data fusion.” In: Carbo-Dorca, R. &
Mezey, P. (editors) The Fundamentals of
Molecular Similarity. pp.
51-66.
· Gillet, V.J. & Willett,
P. “Dissimilarity-based compound
selection for library design.” In:
Ghose, A.K. & Viswanadhan, V.N. (Editors)
Combinatorial Library Design and
Evaluation: Principles, Software Tools and Applications in Drug Discovery. pp. 379-398.
· Martin, Y.C., Willett, P.,
Lajiness, M., Johnson, M., Maggiora, G., Martin, E., Bures, M.G., Gasteiger,
J., Cramer, R.D., Pearlman, R.S. & Mason, J.S. “Diverse viewpoints on computational aspects
of molecular diversity.”
Journal of Combinatorial Chemistry, 3, 2001, 231-250.
· Gedeck, P. & Willett, P.
“Visual and computational analysis of structure-activity relationships in
high-throughput screening data.” Current Opinion in Chemical Biology, 5, 2001, 389-395.
· Schofield, H., Wiggins, G.
& Willett, P. “Recent developments
in chemoinformatics education.” Drug Discovery Today, 6, 2001,
931-934.
·
Gillet, V.J. & Willett, P. “Introduction to computer-assisted combinatorial
chemistry”. Thai Journal of Pharmaceutical
Sciences, 25,
2001, 31-39.
2000
· Willett, P. “Chemoinformatics
- similarity and diversity in chemical libraries.” Current Opinion in Biotechnology, 11, 2000, 85-88.
· Turner, D.B. & Willett,
P. “EVA QSAR: development of models with
enhanced predictivity (EVA_GA).” In: Gundertofte, K. & Jørgensen,
F.S. (editors) Molecular Modelling and
Prediction of Bioactivity. pp.
331-2.
· Jones, G., Willett, P. &
Glen, R.C. “GASP: Genetic Algorithm
Superimposition Program.” In:
Guner, O. (editor) Pharmacophore
Perception, Development and Use in Drug Design. pp. 85-106.
· Willett, P. “Chemical structure
handling.” In: Clark, D.E.
(editor) Evolutionary Algorithms in
Computer-Aided Molecular Design. pp.
115-135. Weinheim: Wiley-VCH, 2000.
· Nakayama, S.-I., Yoshida, M.
& Willett, P. “A similarity score of
protein three-dimensional structures by hard ball using a genetic
algorithm.” Journal of Computer-Aided Chemistry, 1, 2000, 15-21.
· Barnard, J.M.,
1999
· Willett, P. “Matching of
chemical and biological structures using subgraph and maximal common subgraph
isomorphism algorithms”. In:
Truhlar, D.G., Howe, W.J., Hopfinger, A.J., Blaney, J.D. & Dammkoehler, R.
(editors) Rational Drug Design. pp. 11-38.
· Bayley, M.J., Gillet, V.J.,
Willett, P., Bradshaw, J. & Green, D.V.S.
“Computational analysis of molecular diversity for drug discovery.” In: Istrail, S., Pevzner, P. &
Waterman, M.S. (editors) Proceedings of
the 3rd International Conference on Computational Molecular Biology. pp. 321-330.
· Willett, P. “Subset-selection
methods for chemical databases”. In:
Dean, P.M. & Lewis, R.A. (editors) Molecular
Diversity in Drug Design. pp. 115-140.
1998
· Willett, P. “Michael Lynch:
an appreciation”. Journal of Documentation, 54,
1998, 1-14.
· Warr, W.A. & Willett, P.
“The principles and practice of 3D database searching”. In: Martin, Y.C.
& Willett, P. (editors). Designing Bioactive Molecules:
Three-Dimensional Techniques and Applications. pp. 73-95.
· Martin. Y.C. & Willett,
P. (editors). “Summary and future
developments”. In: Martin. Y.C.
& Willett, P. Designing Bioactive
Molecules: Three-Dimensional Techniques and Applications. pp. 253-260.
· Willett, P. “Combinatorial
optimisation using genetic algorithms”. In:
Ernesti, A., Hutson, J.M., & Wright, N.J. (editors) Fashioning a Model: Optimization Methods in Chemical Physics. pp.
35-40. Daresbury: CCP6, 1998.
· Thorner, D.A., Wild, D.J.,
Willett, P. & Wright, P.M. “Calculation of structural similarity by the
alignment of molecular electrostatic potentials”. In: Kubinyi, H., Folkers, G. &
Martin, Y.C. (editors) 3D QSAR in Drug
Design. Volume 2. Ligand-Protein
Interactions and Molecular Similarity.
pp. 301-320.
· Heritage, T.W.,
· Ginn, C.M.R., Ranade, S.S.,
Willett, P. & Bradshaw, J. “The application of data fusion to similarity
searching in chemical databases.” In:
Arabnia, H.R. & Zhu, D. (editors) Proceedings
of the International Conference on Multisource-Multisensor Information Fusion,
Fusion’98. pp 307-313. CSREA Press,
1998.
· Willett, P. “Structural
similarity measures for database searching”.
In: Schleyer, P.von.R., Allinger, N.L.,
1997
· van de Waterbeemd, H.,
Carter, R.E., Grassy, G., Kubinyi, H., Martin, Y.C., Tute, M.S. & Willett,
P. “Glossary of terms used in computational drug design”. Pure
and Applied Chemistry, 69, 1997,
1137-1152. Reprinted in Annual Reports in Medicinal Chemistry, 33, 1998, 397-410.
· Willett, P. “Representing and searching molecular
structures”. In: Davies, A.N.,
Bowen, D.V., Cashyap, M.M., Hillhouse, R., Hollerton, J. & Taylor, K.
(editors) Linking and Interpreting
Spectra through Molecular Structures. pp. 9-14.
· Wild, D.J. & Willett,
P. “Field-based similarity searching in
databases of three-dimensional chemical structures”. In: Collier, H. (editor) Proceedings of the 1997 International
Chemical Information Conference. pp. 83-94.
Calne: Infonortics, 1997.
· Clarke, S.J. & Willett,
P. “Estimating the recall performance of Web search engines”. Aslib
Proceedings, 49, 1997, 184-189.
· Willett, P. “Computational
tools for the analysis of molecular diversity”.
Perspectives in Drug Discovery and
Design, 7/8, 1997, 1-11.
· Willett, P. “Generation of
equifrequently occurring groups of attributes”.
In: Back, T., Fogel, D. & Michalewicz, Z. (editors) Handbook of Evolutionary Computing. pp.
G2.2:1-6.
·
· Willett, P. “Information
retrieval research in the
· Willett, P. “Using
computational tools to analyze molecular diversity”. In: DeWitt, S.H. & Czarnik, A.W.
(editors) A Practical Guide to Combinatorial Chemistry. pp. 17-48.
1996
· Greengrass, M., Robertson,
A.M., Schinke, R. & Willett, P. "Processing morphological variants in
searches of Latin text". Information Research News, 6(4), 1996, 2-5.
· Willett, P. (and 13 others)
"Gerard (Gerry) Salton". Journal of Documentation, 52, 1996, 1-2.
· Willett, P. "Processing
databases of chemical and biological structures on the Distributed Array
Processor". In: Keane, J.A. (editor) Parallel Information Processing.
pp. 239-253. Cheltenham:
· Greengrass, M., Robertson,
A.M., Schinke, R. & Willett, P. "Stemming of Latin text". In:
Proceedings of the 18th BCS IRSG
Retrieval Research Colloquium. pp.
81-93.
· Ekmekcioglu, F.C., Lynch,
M.F. & Willett, P. “Stemming and n-gram
matching for term conflation in Turkish texts”.
Information Research News, 7(1), 1996, 2-6.
· Jones, G., Willett, P. &
Glen, R.C. "Genetic algorithms for chemical structure handling and
molecular recognition". In:
Devillers, J. (editor) Genetic Algorithms
in Molecular Modelling. pp.
211-242.
· Furner, J., Ellis, D. &
Willett, P. "The representation and comparison of hypertext documents
using graphs". In: Agosti,
M. & Smeaton, A.F. (editors) Information
Retrieval and Hypertext. pp.
75-96.
· Willett, P. “Molecular
diversity techniques for chemical databases”.
Information Research News, 7(2), 1996, 10-16.
1995
· Artymiuk, P.J., Poirrette,
A.R., Rice, D.W. & Willett, P.
"The use of graph-theoretic methods for the comparison of the structures
of biological macromolecules". Topics in Current Chemistry, 174, 1995, 73-103.
· Jones, G., Robertson, A.M.,
Santimetvirul, C. & Willett, P. “Non-hierarchic document clustering using a
genetic algorithm”. Information Research News, 5(3),
1995, 2-6.
· Furner-Hines, J. &
Willett, P. "The use of the World-Wide Web in
· Allen, F.H. & Willett,
P. "Search and research using
databases of small-molecule structures".
The Biochemist, 17(1), 1995, 30-34.
· Artymiuk, P.J., Grindley,
H.M., MacKenzie, A.B., Rice, D.W., Ujah, E.C. & Willett, P. "PROTEP: a
program for graph-theoretic similarity searching of the 3-D structures in the
Protein Data Bank". In:
Carbo, R. (editor) Molecular Similarity
and Reactivity: from Quantum Chemical to Phenomenological Approaches. pp. 123-140.
·
· Jones, G. & Willett, P.
"Docking small-molecule ligands into active sites". Current
Opinion in Biotechnology, 6,
1995, 652-656.
· Bath, P.A., Poirrette, A.R.,
Willett, P. & Allen, F.H. "Response to comment on “The extent of the
relationship between the graph-theoretical and the geometrical shape
coefficients of chemical compounds”. Journal of Chemical Information and Computer
Sciences, 35, 1995, 1081.
· Artymiuk, P.J., Poirrette,
A.R., Rice, D.W. & Willett, P.
“Comparison of protein folds and sidechain clusters using algorithms
from graph theory.” In: Bailey,
S., Hubbard, R. & Waller, D.A. (editors)
From First Map to Final Model. pp.
71-81. Daresbury: Science and
Engineering Research Council, 1995.
· Kirriemuir, J.W. &
Willett, P. "Use of cluster analysis methods for analysing the outputs of
multiple-database searches". In:
Collier, M. & Arnold, K. (editors) Proceedings
of the 2nd ELVIRA Conference. pp.
117-127.
· Ellis, D., Furner-Hines, J.
& Willett, P. "Is the manual creation of hypertext
worthwhile?". In: Hannon, M.
& Stubley, P. (editors) Libraries and
Publishers. Proceedings of the 1994
IATUL Seminar. pp. 122-138.
1994
· Bures, M.G., Martin, Y.C.
& Willett, P. "Searching techniques for databases of three-dimensional
chemical structures". Topics in
Stereochemistry, 21, 1994,
467-511.
· Artymiuk, P.J., MacKenzie,
A.B., Grindley, H.M., Poirrette, A.R., Rice, D.W., Ujah, E.C. & Willett,
P. "Representation and searching of
three-dimensional protein structures using graph theory". Chemical
Design Automation News, 9(7),
1994, 6-17.
· Kirriemuir, J.W. &
Willett, P. "Clustering the output
of multi-database searches". Information Research News, 5(2), 1994, 12-17.
· Jones, G., Willett, P. &
Glen, R.C. "Genetic algorithms and
their application to problems in chemical-structure handling". In: Collier, H. (editor) Proceedings of the 1994 International
Chemical Information Conference. pp.
135-148. Calne: Infonortics, 1994.
· Grindley, H.M. & Willett,
P. "Similarity searching in databases of three-dimensional molecules and
macromolecules". In: Kent,
A. & Williams, J.G. (editors) Encyclopaedia
of Microcomputers. Volume 15. pp. 313-335.
· Ellis, D., Furner-Hines, J.
& Willett, P. "Measuring the
consistency of assignment of hypertext links in full-text documents". In:
·
· Willett, P.
"Similarity-searching and clustering algorithms for processing databases
of two-dimensional and three-dimensional chemical structures". In: Dean, P.M. (editor) Molecular Similarity in Drug Design. pp. 110-137.
· Furner-Hines, J. &
Willett, P. "The use of hypertext in libraries in the
1993
· Artymiuk, P.J., Grindley,
H.M., Mitchell, E.M., Rice, D.W., Ujah, E.C. & Willett, P.
"Representation and searching of 3-D protein structures". In: Warr, W.A. (editor) Chemical Structures 2. The International Language of Chemistry.
pp. 273-292.
· Poirrette, A.R. &
Willett, P. "Use of angular information in three-dimensional substructure
searching systems". In:
Warr, W.A. (editor) Chemical Structures
2. The International Language of
Chemistry. pp. 293-296.
· Rasmussen, E.M., Wilson, T.
& Willett, P. "Chemical structure handling using the Distributed Array
Processor". In: Warr, W.A. (Editor) Chemical Structures 2. The
International Language of Chemistry.
pp. 327-341.
·
·
· Willett, P. "Searching
3-D chemical structure databases: current status and future trends". Analytical Proceedings, 30, 1993, 202-203.
· Robertson, A. M. &
Willett, P. "Evaluation of techniques for the conflation of modern and
seventeenth-century English spelling".
In: McEnery, T. & Paice, C. (Editors) Proceedings of the Fourteenth British Computer Society Information
Retrieval Specialist Group Research Colloquium. pp. 155-168.
· Jones, G., Robertson, A.M.
& Willett, P. "The use of genetic algorithms for identifying
equifrequent groupings and for searching databases of flexible
molecules". Information Research News, 4(2),
1993, 2-11.
· Ellis, D., Furner-Hines, J.
& Willett, P. "Measuring the consistency of assignment of hypertext
links to full-text documents". Information Research News, 4(2), 1993, 12-23.
· Willett, P. "Similarity
searching in databases of three-dimensional chemical structures". In:
Bock, H.H., Lenski, W. & Richter, M.M. (editors) Information Systems and Data Analysis.
Prospects, Foundations and Applications. pp. 280-293.
1992
· Willett, P. "Database
searching using array processors". In: Evans, D.J. (Editor) Advances in Parallel Computing, 2, pp. 23-46.
· Artymiuk, P.J., Grindley,
H.M., Poirrette, A.R., Rice, D.W., Ujah, E.C. & Willett, P. "3-D
searching techniques for the location of structural similarities in protein
molecules". Information Research
News, 3(1), 1992, 13-22.
· Bruno, I.J., Artymiuk, P.J.
& Willett, P. "Use of graph-theoretic techniques for the
representation and searching of structures in the Complex Carbohydrate
Structural Database". Information Research News, 3(2), 1992, 8-16.
1991
· Willett, P. "Parallel
processing for text retrieval". Advanced Information Report, March 1991,
10-12.
·
· Willett, P. "The ranking
of paragraphs as an access mechanism for full-text documents". In:
Gillman, P. (Editor) Text Retrieval:
Information First. pp. 34-45.
· Willett, P.
"Representation and searching of three-dimensional chemical
structures". Chemical Design
Automation News, 6(7), 1991, 1
and 24-28.
· Artymiuk, P.J., Grindley,
H.M., Rice, D.W., Ujah, E.C. & Willett, P. "Searching techniques for
the tertiary structures of proteins in the Protein Data Bank". In: Collier, H. (Editor) Recent Advances in Chemical Information. pp. 91-106.
· Willett, P. "The future
of chemical structure systems". In:
Ash, J.E., Warr, W.A. & Willett, P. (Editors) Chemical Structure Systems. pp 329-337.
· Robertson, A.M., Willett, P.,
Vickery, A. & Thompson, W. "Comparison of statistically-based and
knowledge-based approaches to information retrieval". In: Rowley, J. (editor) Information 90. Proceedings of the Third
International Conference pp.
282-286.
· Robertson, A.M. &
Willett, P. "Digram and trigram matching for the identification of word
variants in historical text databases". In: McEnery, T. (editor) Proceedings of the Thirteenth British
Computer Society Information Retrieval Specialist Group Research Colloquium on
Information Retrieval. pp. 12-21.
· Willett, P.
"Three-dimensional structure searching". Gesellschaft Deutscher Chemiker.
Fachgruppe Chemie-Information-Computer. Mitteilungsblatt 19. pp. 26-33. Frankfurt-am-Main:
Gesellschaft Deutscher Chemiker, 1991.
1990
· Manson, G.A., Cringean, J.K.
& Willett, P. "The use of transputers for text scanning of
bibliographical databases". In:
Freeman, L. & Phillips, C. (Editors) Applications
of Transputers 1. pp. 237-243.
· Rasmussen, E.M. &
Willett, P. "Database processing using a highly parallel array
processor". In: Prospects for
Intelligent Retrieval. Proceedings of
the 10th Informatics Conference. pp. 185-203.
· Cringean, J.K., Manson, G.A.
& Willett, P. "Using transputers to increase the speed of document
retrieval". In: Prospects for
Intelligent Retrieval. Proceedings of
the 10th Informatics Conference. pp. 315-322.
· Lynch, M.F. & Willett, P.
"The effects of hardware and software developments on basic research in
information science". In:
Feeny, M. & Merry, K. (Editors) Information Technology and the Research
Process. pp. 114-129.
· Martin, Y.C., Bures, M.G.
& Willett, P. "Searching databases of three-dimensional
structures". In: Lipkowitz, K.B. & Boyd, D.B. (Editors) Reviews in Computational Chemistry pp.
213-263.
· Willett, P. "Laboratory
experimentation: an experimentalist's viewpoint". In: Bawden, D. (Editor) User-Oriented Evaluation of Information Systems and Services. pp. 180-187.
· Cringean, J.K., Manson, G.A.
& Willett, P. "Experiments with transputers for text
retrieval". In: Pollitt,
A.S. (Editor) Proceedings of the Twelfth
British Computer Society Information Retrieval Specialist Group Research
Colloquium on Information Retrieval.
pp. 63-73.
· Willett, P. "Michael F.
Lynch". International Journal of Information
Management, 10, 1990, 176-177.
· Willett, P. "Algorithms
for the calculation of similarity in chemical structure databases". In:
Johnson, M.A. & Maggiora, G.M. (editors) Concepts and Applications of Molecular Similarity. pp. 43-63.
· Artymiuk, P.J., Grindley,
H.M., Mitchell, E.M., Rice, D.W. & Willett, P. "Graph matching
techniques for databases of three-dimensional chemical structures". In: Bawden, D. & Mitchell, E.M.
(Editors) Chemical Information
Systems. Beyond The Structure Diagram.
pp. 50-62.
1989
· Lynch, M.F., Rasmussen, E.M.,
Willett, P., Manson, G.A. & Wilson, G.A. "Chemical database processing
using parallel computer hardware". Biochemical Society Transactions, 17, 1989, 856-858.
· Grindley, H.M., Lynch, M.F.,
Manson, G.A., Rasmussen, E.M., Willett, P.,
· Cringean, J.K., Manson, G.A.
& Willett, P. "The use of transputers for parallel processing in
information retrieval". In:
Proceedings of the Eleventh British Computer Society Information Retrieval
Specialist Group Research Colloquium on Information Retrieval. pp. 302-210.
· Lipscombe, K.J., Lynch, M.F.
& Willett, P. "Chemical structure processing". Annual
Review of Information Science and Technology, 24, 1989, 189-238.
1988
· Brint, A.T., Mitchell, E.M.
& Willett, P. "Substructure searching in files of three-dimensional
chemical structures." In:
Warr, W.E. (editor) Chemical Structures.
The International Language of Chemistry. pp. 131-144.
· Willett, P. "Ranking and
clustering of chemical structure databases." In: Jochum, C., Hicks,
M.G. & Sunkel, J. (Editors) Physical
Property Prediction in Organic Chemistry. pp 191-207.
· Willett, P. "Nous sistemes de recuperacio de la informacio." (In Catalan) Item, 2/3, 1988, 25-49.
1987
· Ellis, D., Hendry,
· Cringean, J.K., Pogue, C.A.
& Willett, P. "Text retrieval using parallel processing
techniques." In: STATUS Users Group Proceedings of the 1987
Annual Conference. pp 35-42. Didcot:
STATUS User Group, 1987.
1986
· Willett, P. "The
reaction indexing problem." In: Willett, P. (Editor) Modern Approaches to Chemical Reaction
Searching, pp 1-17.
1984
· Willett, P. "Current
developments in computer technology." In: AIOPI Looks At New Technology, pp 11-19. Eynsham: Association of
Information Officers in the Pharmaceutical Industry, 1984.
· Willett, P. "A teaching
package for experimental methods in information retrieval." Program, 18, 1984, 259-260.
1982
· Willett, P. "Some current
information retrieval research in the
1981
· Willett, P. "The use of
conflation algorithms in document retrieval." In: Proceedings of the Third Research Colloquium of the British Computer
Society Information Specialist Group, March 1981. pp 161-163.
1980
· Willett, P.
"Nomenclature processing and the interconversion of chemical structure
representations." Proceedings of the Chemical Notation
Association Conference, pp. 197-204.