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Patel, Y., Gillet, V.J., Bravi, G., Leach, A. A Comparison of the Pharmacophore Identification Programs: Catalyst, DISCO and GASP. Journal of Computer-Aided Molecular Design,16, 2002, 693-681.
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Product-Based Approaches to the Design of Combinatorial Libraries. Journal
of Computer-Aided Molecular Design, 16, 2002, 371-380.
Nicolotti, O.,
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P.J., Green, D.V.S. Multiobjective
Optimisation in Quantitative Structure-Activity Relationships: Deriving
Accurate and Interpretable QSARs. Journal
of Medicinal Chemistry. 45, 2002, 5069-5080.
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P.J., Green, D.V.S. Multiobjective Optimisation in Quantitative
Structure-Activity Relationships: Deriving Accurate and Interpretable QSARs. Journal of Medicinal Chemistry.
In Press.
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Fleming, P.J., Green, D.V.S. Designing Focused Libraries Using MoSELECT. J. Mol. Graphics Modell. 20: 491-498, 2002.
Gillet, V.J., Khatib, W., Willett, P. Fleming, P.J., Green, D.V.S.
Combinatorial Library Design Using a Multiobjective
Genetic Algorithm. Journal
of Chemical Information and Computer Sciences. 42: 375-385, 2002.
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.
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.
Gillet, V.J., Nicolotti, O. Evaluation of Reactant-Based and
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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 Science.
In Press.
Gillet, V.J., Willett, P.,
Bradshaw, J., Green D.V.S. Selecting Combinatorial Libraries to Optimize
Diversity and Physical Properties. Journal of Chemical
Information and Computer Sciences. 39, 1999, 167-177.
Gillet,
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for Processing Chemical Structure Databases. The Computer Journal 41, 1998,
547-558.
Gillet, V.J., Willett, P.,
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Profiles Using Substructural Analysis And Genetic
Algorithms. Journal of Chemical Information and Computer
Sciences. 38, 1998, 165-179.
Gillet, V.J., Willett, P.,
Bradshaw, J. The Effectiveness of Reactant Pools for
Generating Structurally-Diverse Combinatorial Libraries. Journal of Chemical Information and Computer Science.
37, 1997, 731-740.
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A.P. SPROUT; HIPPO and CAESA: Tools for de novo structure generation and
estimation of synthetic accessibility. Perpesctives
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35, 1995, 479-493.
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SPROUT: Recent Developments in the de novo design of molecules. Journal of
Chemical Information and Computer Sciences, 34, 1994, 207-217.
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Downs, G.M., Gillet, V.J.,
Holliday, J.D., Lynch, M.F. Theoretical aspects of ring perception, and
development of the Extended Set of Smallest Rings (ESSR) concept. Journal of
Chemical Information and Computer Sciences, 29, 1989, 187-206.
Brint, A.T., Gillet, V.J., Lynch, M.F., Willett, P.,
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Networks. Parallel
Computing, 8, 1988, 295-300.
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Computational Methods for the Analysis of Molecular Diversity. In: van der Goot, H. (Editor) Trends
in Drug Research III. pp. 125-133.
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Computational Analysis of Molecular Diversity for Drug Discovery Proceedings
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Bioactivity Profiles for use in Compound Selection. Abstracts of Papers of the
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SPROUT Program for De-Novo Design and the CAESA system for Estimation of
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Society, 1994, Vol. 208, No.Pt1, pp.159-COMP.
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Accessibility. Abstracts
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