CIR Bibliography: W-Z

Wade, Rebecca C.; Clark, K. J.; Goodford, Peter J. 1993. Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds. Journal of Medicinal Chemistry. 36 (1): 140-147. ISSN: 0022-2623; CODEN: JMCMAR.
Wade, Rebecca C.; Goodford, Peter J. 1993. Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds. Journal of Medicinal Chemistry. 36 (1): 148-156. ISSN: 0022-2623; CODEN: JMCMAR.
Wagener, Markus; Gasteiger, Johann. 1990. Implementation of synthesis strategies in PROLOG. In: Gasteiger, Johann, ed. Software development in chemistry 4 (Proceedings of the 4th Workshop "Computers in Chemistry", Hochfilzen, Tyrol, Austria, November 22-24, 1989). Berlin: Springer-Verlag; 1990. 265-273. ISBN: 3-540-52173-9; LC 90-9995.
Wagener, Markus; Gasteiger, Johann. 1995. Determination of maximum common 3D substructures using a genetic algorithm. In: Bernardi, Fernando; Rivail, Jean-Louis, eds. E.C.C.C. 1, Computational Chemistry (F.E.C.S. conference, Nancy, France, May 1994). Woodbury, NY: AIP Press; 1995. 532-537. ISBN: 1-563-96457-0; ISSN 0094-243X; LC 95-75843.
Wagener, Markus; Sadowski, Jens; Gasteiger, Johann. 1995. Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks. Journal of the American Chemical Society. 117 (29): 7769-7775. ISSN: 0002-7863; CODEN: JACSAT.
Wagman, Donald D. 1992. Data bases: Past, present and future. Pure and Applied Chemistry. 64 (1): 37-48. ISSN: 0033-4545; CODEN: PACHAS.
Wahl, M. C.; Sundaralingam, M. 1997. C- H...O Hydrogen Bonding in Biology [Review]. Trends in Biochemical Sciences. 22 (3): 97-102. ISSN: 0376-5067; CODEN: TBSCDB.
Waldherr-Teschner, M.; Goetze, T.; Heiden, W.; Knoblauch, M.; Vollhardt, H.; Brickmann, Jźrgen. 1992. MOLCAD -- Computer aided visualization and manipulation of models in molecular science. In: Post, F. H.; Hin, A. J. S., eds. Advances in Scientific Visualization [22-24 April 1991, Delft, Netherlands]. Berlin: Springer-Verlag; 1992. 58-67.
Walker, J. Richard; Willett, Peter. 1986. Compression of nucleic acid and protein sequence data. Computer Applications in the Biosciences. 2 (2): 89-93. ISSN: 0266-7061; CODEN: COABER.
Walker, P. Duane; Maggiora, Gerald M.; Johnson, Mark Allyn; Petke, James D.; Mezey, Paul G. 1995. Shape group analysis of molecular similarity: Shape similarity of six-membered aromatic ring systems. Journal of Chemical Information and Computer Sciences. 35 (3): 568-578. ISSN: 0095- 2338; CODEN: JCISD8.
Walker, P. Duane; Mezey, Paul G.; Maggiora, Gerald M.; Johnson, Mark Allyn; Petke, James D. 1995. Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2-phenylpyrimidine. Journal of Computational Chemistry. 16 (12): 1474- 1482. ISSN: 0192-8651; CODEN: JCCHDD.
Wallace, Andrew C.; Laskowski, Roman A.; Thornton, Janet M. 1996. Derivation of 3D coordinate templates for searching structural databases: Application to Ser-His-Asp catalytic triads in the serine proteinases and lipases. Protein Science. 5 (6): 1001-1013. ISSN: 0961-8368; CODEN: PRCIEI.
Walters, D. Eric. 1995. When There is No Receptor Crystal Structure: Building Useful Models of Receptor Sites. Network Science. 1 (2). (http://www.netsci.c om/Science/Compchem/feature03.html). ISSN: 1092-7360; CODEN: NESCF2.
Walters, W. Patrick; Dolata, Daniel P. 1994. MOUSE-III: Learning rules of conformational analysis from x-ray data. Journal of Molecular Graphics. 12 (2): 130-138. ISSN: 0263-7855; CODEN: JMGRDV.
Waltzman, R.; Bergh, S. 1996. A critiquing approach to data retrieval. In: ?, ed. Proceedings of the 4th International Conference on the Practical Application of Prolog [23-25 April 1996, London, UK]. Blackpool, UK: Practical Application Co; 1996. 437-451.
Wang, Gary T.; Li, Sam; Wideburg, Norman; Krafft, Grant A.; Kempf, Dale J. 1995. Synthetic chemical diversity: Solid phase synthesis of libraries of C2 symmetric inhibitors of HIV protease containing diamino, diol, and diamino alcohol cores. Journal of Medicinal Chemistry. 38 (16): 2995- 3002. ISSN: 0022-2623; CODEN: JMCMAR.
Wang, Peiming; Neumann, D. B. 1989. A database and retrieval system for the NBS Tables of Chemical Thermodynamic Properties. Journal of Chemical Information and Computer Sciences. 29 (1): 31-38. ISSN: 0095-2338; CODEN: JCISD8.
Wang, Shaomeng; Kazanietz, Marcelo G.; Blumberg, Peter M.; Marquez, Victor E.; Milne, George W. A. 1996. Molecular Modeling and Site-Directed Mutagenesis Studies of a Phorbol Ester-Binding Site in Protein Kinase C. Journal of Medicinal Chemistry. 39 (13): 2541-2553. ISSN: 0022- 2623; CODEN: JMCMAR.
Wang, Shaomeng; Milne, George W. A.; Klopman, Gilles. 1994. Graph Theory and Group Contributions in the Estimation of Boiling Points. Journal of Chemical Information and Computer Sciences. 34 (6): 1242-1250. ISSN: 0095-2338; CODEN: JCISD8.
Wang, Shaomeng; Milne, George W. A.; Nicklaus, Marc C.; Marquez, Victor E.; Lee, Jeewoo; Blumberg, Peter M. 1994. Protein Kinase C. Modeling of the Binding Site and Prediction of Binding Constants. Journal of Medicinal Chemistry. 37 (9): 1326-1338. ISSN: 0022-2623; CODEN: JMCMAR.
Wang, Shaomeng; Milne, George W. A.; Nicklaus, Marc C.; Marquez, Victor E.; Lee, Jeewoo; Blumberg, Peter M. 1994. Protein Kinase C. Modeling of the Binding Site and Prediction of Binding Constants. (Erratum). Journal of Medicinal Chemistry. 37 (25): 4422. ISSN: 0022-2623; CODEN: JMCMAR.
Wang, Shaomeng; Milne, George W. A.; Yan, Xinjian; Posey, Isadora; Nicklaus, Marc C.; Graham, Lisa; Rice, William G. 1996. Discovery of Novel, Non-Peptide HIV-1 Protease Inhibitors by Pharmacophore Searching. Journal of Medicinal Chemistry. 39 (10): 2047-2054. ISSN: 0022-2623; CODEN: JMCMAR.
Wang, Shaomeng; Nicklaus, Marc C.; Milne, George W. A.; Yan, Xinjian; Rice, William G. 1995. Binding Modes of Novel HIV Protease Inhibitors by Molecular Modeling. In: Abstracts of Papers, 210th American Chemical Society National Meeting [20-24 August 1995, Chicago, IL]. Washington, DC: American Chemical Society; 1995. CINF-21. ISBN: 0-8412-3222-9; ISSN 0065-7727.
Wang, Shaomeng; Zaharevitz, Daniel W.; Sharma, Rajiv; Marquez, Victor E.; Lewin, Nancy E.; Du, Linh; Blumberg, Peter M.; Milne, George W. A. 1994. The Discovery of Novel, Structurally Diverse Protein Kinase C Agonists through Computer 3D-Database Pharmacophore Search. Molecular Modeling Studies. Journal of Medicinal Chemistry. 37 (26): 4479-4489. ISSN: 0022-2623; CODEN: JMCMAR.
Wareham, Richard S.; Kilburn, Jeremy D.; Rees, Nicholas H.; Turner, David L.; Leach, Andrew R.; Holmes, Duncan S. 1995. Synthesis and solution conformation of a C2 symmetric macrobicycle. Tetrahedron Letters. 36 (17): 3047-3050. ISSN: 0040-4039; CODEN: TELEAY.
Warr, Wendy A. 1982. Diverse uses and future prospects for Wiswesser line-formula notation. Journal of Chemical Information and Computer Sciences. 22 (2): 98-101. ISSN: 0095-2338; CODEN: JCISD8.
Warr, Wendy A. 1983. Available systems of structure representation. In: Lees, Ronald; Smith, Arthur F., eds. Chemical Nomenclature Usage (Papers presented at a symposium held in London, March 24-26, 1981). Chichester, UK: Ellis Horwood; 1983. 124-131. ISBN: 0-85312-368-3; LC 83- 77.
Warr, Wendy A. 1987. Graphics for Chemical Structures: Integration with Text and Data.. Washington, DC: American Chemical Society; 1987. 160 pp. ISBN: 0-8412-1401-8; ISSN 0097-6156; LC 87-003575.
Warr, Wendy A., ed. 1988. Chemical Structures: The International Language of Chemistry: Proceedings of a Conference; 1987 May 31 - June 4; Noordwijkerhout, The Netherlands. Berlin and New York: Springer-Verlag; 1988. 472 pp. ISBN: 0-387-50143-6; LC 88-28595.
Warr, Wendy A., ed. 1989. Chemical Structure Information Systems: Interfaces, Communication, and Standards. Washington, DC: American Chemical Society; 1989. 132 pp. ISBN: 0-8412-1664-9; ISSN 0097-6156; LC 89-14988.
Warr, Wendy A. 1991. Some observations on piecemeal electronic publishing solutions in the pharmaceutical industry. Journal of Chemical Information and Computer Sciences. 31 (2): 181-186. ISSN: 0095- 2338; CODEN: JCISD8.
Warr, Wendy A. 1991. Spectral databases. Chemometrics and Intelligent Laboratory Systems. 10 (3): 279-292. ISSN: 0169-7439; CODEN: CILSEN.
Warr, Wendy A. 1991. Systems for chemical structure handling. In: Ash, Janet Elizabeth; Warr, Wendy A.; Willett, Peter, eds. Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information. Chichester, UK: Ellis Horwood; 1991. 88-125 (chap. 123). ISBN: 0-13-126699-3; LC 91-68520.
Warr, Wendy A., ed. 1993. Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3 - 7; Noordwijkerhout, The Netherlands. Berlin: Springer-Verlag; 1993. 496 pp. ISBN: 3-540-56369-5; LC 92-45010.
Warr, Wendy A. 1993. Computer-assisted structure elucidation. Part II: Indirect database approaches and established systems. Analytical Chemistry. 65 (24): 1087A. ISSN: 0003-2700; CODEN: ANCHAM.
Warr, Wendy A. 1993. New chemical databases on CD-ROM. Database. 16 (1): 59-67. ISSN: 0162-4105; CODEN: DTBSDQ.
Warr, Wendy A. 1993. Spectral database systems: A comparison. In: Collier, Harry R., ed. Recent Advances in Chemical Information II (Proceedings of the Montreux 1992 International Chemical Information Conference, Annecy, France, 19-21 October 1992). Cambridge, England: The Royal Society of Chemistry; 1993. 235-246. ISBN: 0-85186-235-7; ISSN 0260-6291; LC 92-243037.
Warr, Wendy A. 1994. Drugs and chemical reactions on CD-ROM. Database. 17 (3): 56-58,60-63. ISSN: 0162-4105; CODEN: DTBSDQ.
Warr, Wendy A. 1995. More chemistry on CD-ROM. Database. 18 (1): 60-64. ISSN: 0162-4105; CODEN: DTBSDQ.
Warr, Wendy A. 1997. Combinatorial Chemistry and Molecular Diversity: An Overview. Journal of Chemical Information and Computer Sciences. 37 (1): 134-140. ISSN: 0095-2338; CODEN: JCISD8.
Warr, Wendy A.; Jackson, Angela R. Haygarth. 1988. End-user searching of CAS ONLINE. Results of a cooperative experiment between Imperial Chemical Industries and Chemical Abstracts Service. Journal of Chemical Information and Computer Sciences. 28 (2): 68-72. ISSN: 0095-2338; CODEN: JCISD8.
Warr, Wendy A.; Suhr, Claus. 1992. Chemical Information Management. Weinheim: VCH; 1992. 261 pp. ISBN: 3-527-28366-8; LC 92-8826.
Warr, Wendy A.; Wilkins, Martyn P. 1990. Graphics front ends for chemical searching and a look at ChemTalk Plus. Online. 14 (3): 50-54. ISSN: 0146-5422; CODEN: ONLIDN.
Warr, Wendy A.; Wilkins, Martyn P. 1992. Front end software for chemical structure searching: A state-of-the-art review. Online. 16 (1): 48-55. ISSN: 0146-5422; CODEN: ONLIDN.
Warr, Wendy A.; Willett, Peter; Downs, Geoffrey M., eds. 1992. Directory of Chemistry Software 1992. Washington, DC: American Chemical Society; 1992. 204 pp.
Wasen, Rolf. 1988. Computer algebra - Software for symbolic mathematics - Also a possibility for chemistry? In: Gasteiger, Johann, ed. Software-Entwicklung in der Chemie: 2 Workshop (Proceedings of the 2nd "Computer in der Chemie" workshop). Berlin: Springer; 1988. 417-432. ISBN: 3- 540-18696-4.
Waterman, J. R. 1984. Using CAS ONLINE to search for patents. In: Barnard, John M., ed. Computer Handling of Generic Chemical Structures. Aldershot, Hampshire, England: Gower; 1984. 76-82. ISBN: 0-566-03515-4; LC 84-13725.
Weber, H. P. 1995. Screening Three- Dimensional Databases for Lead Finding. In: Herrmann, E. C.; Franke, R., eds. Computer Aided Drug Design in Industrial Research. Berlin: Springer- Verlag; 1995. 111-128. ISBN: 3-540-59041-2; LC 95-212957.
Weber, J. 1990. Recent advances in molecular graphics. In: Vandoni, C. E.; Duce, D. A., eds. Eurographics '90. Proceedings of the European Computer Graphics Conference and Exhibition [4-7 Sept. 1990, Montreux, Switzerland]. Amsterdam: North-Holland; 1990. 323.
Weber, J.; Deloff, A.; Flźkiger, P. F. 1994. Visualization in computational chemistry. Speedup. 8 (1): 63-70. ; CODEN: SPEEF2.
Weber, Jacques; Morgantini, Pierre-Yves; Flźkiger, Peter; Goursot, Annick. 1991. Recent Developments in Molecular Graphics: Visualization of Chemical Structures and Properties. The Visual Computer. 7 (2-3): 158-169. ISSN: 0178-2789; CODEN: VICOE5.
Weber, J.; Morgantini, P. Y.; Flźkiger, P. F.; Goursot, A. 1989. Three-dimensional models of molecular structures and chemical properties. In: Earnshaw, R. A.; Wyvill, B., eds. New Advances in Computer Graphics. Proceedings of [the] CG International [Conference] '89 [27-30 June 1989, Leeds, UK]. Tokyo: Springer-Verlag; 1989. 675-690.
Weber, J.; Roch, M.; Combremont, J. J.; Vogel, P.; Carrupt, P. A. 1983. Dynamic representation of quantum chemical results using computer graphics: Molecular rearrangements, art or science? Theochem. 10: 189-200. ISSN: 0166-1280; CODEN: THEODJ.
Weber, J.; Stussi, D.; Morgantini, P.-Y. 1994. Chemical reactivity and molecular shape interactions. In: Glaeser, P. S.; Millward, M. T. L., eds. Proceedings of 13th International CODATA Conference on New Data Challenges in our Information Age [19-22 Oct. 1992, Beijing, China]. Paris: CODATA; 1994. C/43-55.
Weber, P. C.; Wendoloski, J. J.; Pantoliano, M. W.; Salemme, F. R. 1992. Crystallographic and thermodynamic comparison of natural and synthetic ligands bound to streptavidin. Journal of the American Chemical Society. 114 (9): 3197-3200. ISSN: 0002-7863; CODEN: JACSAT.
Weber, P. C.; Wendoloski, J. J.; Salemme, F. R. 1991. Cooperative ligand reorientations in cytochrome c3: A molecular dynamics simulation. Biochimica et Biophysica Acta. 1058 (1): 83-84. ISSN: 0006- 3002; CODEN: BBACAQ.
Weckend, Bernd-Ruediger. 1987. Complementary searching in patent databases. World Patent Information. 9 (3): 140-146. ISSN: 0172-2190; CODEN: WPAID2.
Wedig, U.; Schroder, L. 1996. Visualization reveals new structures in solid-state chemistry. Scientific Computing World. (21): 21-24. ISSN: 1356-7853; CODEN: SCWOEU.
Wei, Susanna; Famini, George R. 1995. Visualization of electronic properties of molecules in chemical reactions. Journal of Molecular Graphics. 13 (5): 287-290. ISSN: 0263-7855; CODEN: JMGRDV.
Weibel, S. 1994. The CORE project: Technical shakedown phase and preliminary user studies. OCLC Systems and Services. 10 (2-3): 99-102. ISSN: 1065-075X; CODEN: OSSEEE.
Weininger, David. 1988. SMILES, a Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules. Journal of Chemical Information and Computer Sciences. 28 (1): 31-36. ISSN: 0095-2338; CODEN: JCISD8.
Weininger, David. 1990. SMILES. 3. DEPICT. Graphical depiction of chemical structures. Journal of Chemical Information and Computer Sciences. 30 (3): 237-243. ISSN: 0095-2338; CODEN: JCISD8.
Weininger, David. 1994. A distributed chemical information database system. In: Collier, Harry R., ed. Further Advances in Chemical Information (Proceedings of the Montreux International Chemical Information Conference, Annecy, France, 18-20 October 1993). Cambridge, England: The Royal Society of Chemistry; 1994. 67-74. ISBN: 0-85186-545-3; ISSN 0260-6291.
Weininger, David. 1995. A Note on the Sense and Nonsense of Searching 3-D Databases for Pharmaceutical Leads. Network Science. 1 (3). (http://www.netsci. com/Science/Cheminform/feature04.html). ISSN: 1092-7360; CODEN: NESCF2.
Weininger, David. 1996. Daylight CGI interface (DCGI). Network Science. 2 (3). (http://www.netsci. com/Science/Cheminform/feature08.html). ISSN: 1092-7360; CODEN: NESCF2.
Weininger, David; Weininger, Arthur. 1993. GEMINI: A generalized connection table language and interpreter. In: Warr, Wendy A., ed. Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3 - 7; Noordwijkerhout, The Netherlands. Berlin: Springer-Verlag; 1993. 195-206. ISBN: 3-540-56369-5; LC 92- 45010.
Weininger, David; Weininger, Arthur; Weininger, Joseph L. 1989. SMILES. 2. Algorithm for generation of unique SMILES notation. Journal of Chemical Information and Computer Sciences. 29 (2): 97-101. ISSN: 0095-2338; CODEN: JCISD8.
Weinstein, Harel; Osman, R.; Green, J. P. 1979. The molecular basis of structure-activity relationships: Quantum chemical recognition mechanisms in drug-receptor interactions. In: Olson, E. C.; Christoffersen, R. E., eds. Computer-Assisted Drug Design. Washington, DC: American Chemical Society; 1979. ISBN: (none); ISSN 0097-6156.
Weinstein, John N.; Myers, Timothy G.; O'Connor, Patrick M.; Friend, Stephen H.; Fornace, Albert J., Jr.; Kohn, Kurt W.; Fojo, Tito; Bates, Susan E.; Rubinstein, Lawrence V.; Anderson, N. Leigh; Buolamwini, John K.; van Osdol, William W.; Monks, Anne P.; Scudiero, Dominic A.; Sausville, Edward A.; Zaharevitz, Daniel W.; Bunow, Barry; Viswanadhan, Vellarkad N.; Johnson, George S.; Wittes, Robert E.; Paull, Kenneth D. 1997. An Information-Intensive Approach to the Molecular Pharmacology of Cancer. Science. 275 (5298): 343-349. ISSN: 0036-8075; CODEN: SCIEAS.
Welford, Stephen M. 1988. Tautomer processing in the Beilstein Registry System. In: Gasteiger, Johann, ed. Software- Entwicklung in der Chemie: 2 Workshop (Proceedings of the 2nd "Computer in der Chemie" workshop). Berlin: Springer; 1988. 35-43. ISBN: 3-540-18696-4.
Welford, Stephen M. 1990. Chemical structure searching. Using S4/MOLKICK on DIALOG. In: Heller, Stephen R., ed. The Beilstein Online Database: Implementation, Content, and Retrieval. Washington, DC: American Chemical Society; 1990. 64-79. ISBN: 0-8412-1862-5; ISSN 0097- 6156; LC 90-4194.
Welford, Stephen M.; Ash, Sheila; Barnard, John M.; Carruthers, L.; Lynch, Michael F.; von Scholley, Annette. 1984. The Sheffield University Generic Chemical Structures Research Project. In: Barnard, John M., ed. Computer Handling of Generic Chemical Structures. Aldershot, Hampshire, England: Gower; 1984. 130-158. ISBN: 0-566-03515-4; LC 84-13725.
Welford, Stephen M.; Barnard, John M.; Lynch, Michael F. 1983. Towards simplified access to chemical structure information in the patent literature. Journal of Information Science, Principles & Practice. 6 (1): 3-10. ISSN: 0165-5515; CODEN: JISCDI.
Welford, Stephen M.; Jochum, Clemens. 1993. Chemical structure registration for Beilstein Online. In: Warr, Wendy A., ed. Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3 - 7; Noordwijkerhout, The Netherlands. Berlin: Springer-Verlag; 1993. 161-170. ISBN: 3-540-56369-5; LC 92- 45010.
Welford, Stephen M.; Lynch, Michael F.; Barnard, John M. 1981. Computer storage and retrieval of generic chemical structures in patents. 3. Chemical grammars and their role in the manipulation of chemical structures. Journal of Chemical Information and Computer Sciences. 21 (3): 161-168. ISSN: 0095-2338; CODEN: JCISD8.
Welford, Stephen M.; Lynch, Michael F.; Barnard, John M. 1984. Computer storage and retrieval of generic chemical structures in patents. 5. Algorithmic generation of fragment descriptors for generic structure screening. Journal of Chemical Information and Computer Sciences. 24 (2): 57-66. ISSN: 0095-2338; CODEN: JCISD8.
Wendoloski, J. J.; Matthew, James B.; Weber, P. C.; Salemme, F. R. 1987. Molecular dynamics of a cytochrome c-cytochrome b5 electron transfer complex. Science. 238 (4828): 794-797. ISSN: 0036-8075; CODEN: SCIEAS.
Wentang, Cheng; Ying, Zhang; Feibai, Yu. 1993. New Computer Representation for Chemical Structures: Two-level Compact Connectivity Tables. Journal of Chemical Information and Computer Sciences. 33 (4): 604-608. ISSN: 0095-2338; CODEN: JCISD8.
Wermuth, Camille-Georges, ed. 1993. Trends in QSAR and Molecular Modelling 92. Leiden, Netherlands: ESCOM; 1993. 595 pp. ISBN: 90-72199-13-8.
Wermuth, Camille-Georges; Koga, N.; Kšnig, H.; Metcalf, B. W., eds. 1992. Medicinal Chemistry for the 21st Century. Oxford: Blackwell; 1992. 402 pp. ISBN: 0-632-03408-4.
Wermuth, Camille-Georges; Langer, Thierry. 1993. Pharmacophore Identification. In: Kubinyi, Hugo, ed. 3D QSAR in Drug Design: Theory, Methods and Applications. Leiden, Netherlands: ESCOM; 1993. 117-136. ISBN: 90-72199-14-6.
Wernette Hammond, Mary Ellen; Shyamala, Venkatakrishna; Siani, Michael A.; Gallegos, Carol A.; Feucht, Paul H.; Abbott, Janine; Lapointe, Gena Reza; Moghadam, Mehrdad; Khoja, Hamid; Zakel, Joan; Tekamp-Olson, Patricia. 1996. Receptor recognition and specificity of interleukin-8 is determined by residues that cluster near a surface-accessible hydrophobic pocket. Journal of Biological Chemistry. 271 (14): 8228-8235. ISSN: 0021-9258; CODEN: JBCHA3.
Werther, W.; Varmuza, K. 1990. EDAS-MS. Exploratory data analysis of mass spectra. In: Gasteiger, Johann, ed. Software development in chemistry 4 (Proceedings of the 4th Workshop "Computers in Chemistry", Hochfilzen, Tyrol, Austria, November 22-24, 1989). Berlin: Springer- Verlag; 1990. 175-185. ISBN: 3-540-52173-9; LC 90-9995.
Whaley, Robert; Hodes, Louis. 1991. Clustering a Large Number of Compounds. 2. Using the Connection Machine. Journal of Chemical Information and Computer Sciences. 31 (2): 345-347. ISSN: 0095- 2338; CODEN: JCISD8.
White, S. H. 1993. Protein Science and the Age of Information. Protein Science. 2 (3): 303-304. ISSN: 0961-8368; CODEN: PRCIEI.
Whitley, D.; Ford, Martyn Glenn. 1995. The application of molecular topology to drug design -- Topological descriptions of molecular shape. In: Dean, Philip Michael, ed. Molecular Similarity in Drug Design. Glasgow, UK: Blackie; 1995. 269-290. ISBN: 0-7514-0221-4; LC 94- 78528.
Whitley, D.; Ford, Martyn Glenn. 1995. Molecular Surface Graphs as Descriptors of Molecular Shape. In: Sanz, Ferran; Giraldo, Jesśs; Manaut, Francesc, eds. QSAR and Molecular Modeling: Concepts, Computational Tools and Biological Applications: Proceedings of the 10th European Symposium on Structure-Activity Relationships, QSAR and Molecular Modelling; 1994 September 4 - 9; Barcelona, Spain. Barcelona: J. R. Prous Science Publishers; 1995. 385-387. ISBN: 84-8124-079-6.
Wiederhold, G. 1983. Database Design. 2nd edition. New York: McGraw-Hill; 1983.
Wiggins, G. 1994. Internet resource discovery tools and services for chemistry. In: Raitt, David I.; Jeapes, B., eds. Online Information 94. Proceedings of the 18th International Online Information Meeting [6-8 December 1994, London, UK]. Oxford: Learned Information; 1994. 139-149.
Wigington, R. L. 1987. Evolution of information technology and its impact on chemical information. Journal of Chemical Information and Computer Sciences. 27 (2): 51-55. ISSN: 0095-2338; CODEN: JCISD8.
Wild, David J. 1994. Structural and electrostatic similarity searching in three-dimensional chemical databases using genetic algorithms and parallel computers. University of Sheffield: University of Sheffield, Sheffield, England; 1994. (Ph.D. dissertation).
Wild, David J.; Willett, Peter. 1994. 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 (1): 224-231. ISSN: 0095-2338; CODEN: JCISD8.
Wild, David J.; Willett, Peter. 1996. Similarity Searching in Files of Three-dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm. Journal of Chemical Information and Computer Sciences. 36 (2): 159-167. ISSN: 0095-2338; CODEN: JCISD8.
Wild, D. L.; Tucker, P. A.; Choe, S. 1995. A visual data flow environment for macromolecular crystallographic computing. Journal of Molecular Graphics. 13 (5): 291-298. ISSN: 0263-7855; CODEN: JMGRDV.
Wilke, R.; Buntrock, Robert E. 1991. Condensation polymer information: Problems and opportunities. Journal of Chemical Information and Computer Sciences. 31 (4): 463-468. ISSN: 0095-2338; CODEN: JCISD8.
Wilke, R. N. 1991. Searching for simple generic structures. Journal of Chemical Information and Computer Sciences. 31 (1): 36-40. ISSN: 0095-2338; CODEN: JCISD8.
Wilks, Edward S. 1997. Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 1. Regular Single-Strand Organic Polymers. Journal of Chemical Information and Computer Sciences. 37 (2): 171-192. ISSN: 0095-2338; CODEN: JCISD8.
Wilks, Edward S. 1997. Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 2. Aftertreated (Post-treated), Alternating/Periodic, and Block Polymers. Journal of Chemical Information and Computer Sciences. 37 (2): 193-208. ISSN: 0095-2338; CODEN: JCISD8.
Wilks, Edward S. 1997. Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 3. Comb/Graft, Cross-Linked, and Dendritic/Hyperconnected/Star Polymers. Journal of Chemical Information and Computer Sciences. 37 (2): 209-223. ISSN: 0095-2338; CODEN: JCISD8.
Wilks, Edward S. 1997. Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 4. Stereochemistry, Inorganic, Coordination, Double-Strand, Polysiloxanes, Oligomers, Telomers. Journal of Chemical Information and Computer Sciences. 37 (2): 224-235. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1977. The automatic analysis of chemical reaction data. Information Scientist (London). 11 (4): 125-135. ISSN: 0020-0263; CODEN: INFSBN.
Willett, Peter. 1979. Analysis of Chemical Reaction Information for Storage and Retrieval. University of Sheffield: University of Sheffield, Sheffield, England; 1979. 281 pp. (Ph.D. dissertation).
Willett, Peter. 1979. Computer techniques for the indexing of chemical reaction information. Journal of Chemical Information and Computer Sciences. 19 (3): 156-158. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1979. The effect of screen set size on retrieval from chemical substructure search systems. Journal of Chemical Information and Computer Sciences. 19 (4): 253-255. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1979. A screen set generation algorithm. Journal of Chemical Information and Computer Sciences. 19 (3): 159-162. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1980. The evaluation of an automatically indexed, machine-readable chemical reactions file. Journal of Chemical Information and Computer Sciences. 20 (2): 93-96. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1982. A comparison of some hierarchical agglomerative clustering algorithms for structure-property correlation. Analytica Chimica Acta. 136: 29-37. ISSN: 0003-2670; CODEN: ACACAM.
Willett, Peter. 1983. Some heuristics for nearest-neighbor searching in chemical structure files. Journal of Chemical Information and Computer Sciences. 23 (1): 22-25. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1984. Evaluation of relocation clustering algorithms for the automatic classification of chemical structures. Journal of Chemical Information and Computer Sciences. 24 (1): 29-33. ISSN: 0095- 2338; CODEN: JCISD8.
Willett, Peter. 1985. An algorithm for chemical superstructure searching. Journal of Chemical Information and Computer Sciences. 25 (2): 114-116. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1985. Clustering Tendency in Chemical Classifications. Journal of Chemical Information and Computer Sciences. 25 (2): 78-80. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter. 1985. Ranked output searching in textual and structural databases. In: Online Information 85. Proceedings of the 9th International Online Information Meeting [3-5 December 1985, London, UK]. Oxford: Learned Information; 1985. 343-353.
Willett, Peter, ed. 1986. Modern Approaches to Chemical Reaction Searching. Aldershot, Hampshire, England: Gower; 1986. 266 pp. ISBN: 0-566-03550-2; LC 86-3153.
Willett, Peter. 1986. The reaction indexing problem: A historical viewpoint. In: Willett, Peter, ed. Modern Approaches to Chemical Reaction Searching. Aldershot, Hampshire, England: Gower; 1986. 1- 17. ISBN: 0-566-03550-2; LC 86-3153.
Willett, Peter. 1987. A review of chemical structure retrieval systems. Journal of Chemometrics. 1 (3): 139-155. ISSN: 0886-9383; CODEN: JOCHEU.
Willett, Peter. 1987. Similarity and Clustering in Chemical Information Systems. Letchworth, Hertfordshire, England: Research Studies Press Ltd.; 1987. 254 p. ISBN: 0-86380-050-5.
Willett, Peter. 1988. Ranking and clustering of chemical structure databases. In: Jochum, Clemens; Hicks, Martin G.; Sunkel, J., eds. Physical Property Prediction in Organic Chemistry. Berlin: Springer Verlag; 1988. 191-207.
Willett, Peter. 1988. Recent trends in hierarchic document clustering: A critical review. Information Processing & Management. 24 (5): 577-597. ISSN: 0306-4573; CODEN: IPMADK.
Willett, Peter. 1989. Searching techniques for databases of 3-D chemical structures. CRUS News. 33 (March): 6-9. ISSN: 0140-4253.
Willett, Peter. 1989. Textual and chemical information processing using parallel computer hardware. Journal of Information Science. 15 (4): 223-256. ISSN: 0165-5515; CODEN: JIOSED.
Willett, Peter. 1990. Algorithms for the calculation of similarity in chemical structure databases. In: Johnson, Mark A.; Maggiora, Gerald M., eds. Concepts and Applications of Molecular Similarity. New York: John Wiley & Sons; 1990. 43-65. ISBN: 0-471-62175-7; LC 89-49633.
Willett, Peter. 1990. Processing of three- dimensional chemical structure information using graph-theoretic techniques. In: Raitt, David I., ed. Online Information 90. Proceedings of the 14th International Online Information Meeting [11-13 December 1990, London, UK). Oxford: Learned Information; 1990. 115-127. ISBN: 0-904933-75-X.
Willett, Peter. 1991. The Future of Chemical Structure Systems. In: Ash, Janet Elizabeth; Warr, Wendy A.; Willett, Peter, eds. Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information. Chichester, UK: Ellis Horwood; 1991. 329-337. ISBN: 0-13-126699-3; LC 91-68520.
Willett, Peter. 1991. Representation and searching of three-dimensional chemical structures. Chemical Design Automation News. 6 (7): 1,24-28,31. ISSN: 0886-6716; CODEN: CDANEK.
Willett, Peter. 1991. Three-Dimensional Chemical Structure Handling. Taunton, Somerset, England: Research Studies Press Ltd.; 1991. 241 p. ISBN: 0-86380-121-8.
Willett, Peter. 1991. Three-dimensional structure searching. Mitteilungsblatt - Gesellschaft Deutscher Chemiker, Fachgruppe Chemie-Information-Computer. 19: 26-33. ISSN: 0178-4927; CODEN: MGCCEQ.
Willett, Peter. 1992. A Review of Three- dimensional Chemical Structure Retrieval Systems. Journal of Chemometrics. 6 (6): 289-305. ISSN: 0886-9383; CODEN: JOCHEU.
Willett, Peter. 1993. Searching three- dimensional chemical structure databases: Current status and future trends. Analytical Proceedings (London). 30 (4): 202-203. ISSN: 0144-557X; CODEN: ANPRDI.
Willett, Peter. 1994. Similarity searching in databases of three-dimensional chemical structures. In: Bock, Hans-Herman; Lenski, Wolfgang; Richter, Michael M., eds. Information Systems and Data Analysis. Prospects, Foundations and Applications. Berlin: Springer Verlag; 1994. 280-293. ISBN: 3-540-58057-3.
Willett, Peter. 1995. Genetic algorithms in molecular recognition and design. Trends in Biotechnology. 13 (12): 516- 521. ISSN: 0167-7799; CODEN: TRBIDM.
Willett, Peter. 1995. Searching for Pharmacophoric Patterns in Databases of Three-dimensional Chemical Structures. Journal of Molecular Recognition. 8 (5): 290-303. ISSN: 0952-3499; CODEN: JMORE4.
Willett, Peter. 1995. Similarity-searching and Clustering Algorithms for Processing Databases of Two-dimensional and Three- dimensional Chemical Structures. In: Dean, Philip Michael, ed. Molecular Similarity in Drug Design. Glasgow, UK: Blackie; 1995. 110-137. ISBN: 0-7514- 0221-4; LC 94-78528.
Willett, Peter. 1997. Using Computational Tools to Analyze Molecular Diversity. In: DeWitt, Sheila Hobbs; Czarnik, Anthony W., eds. Combinatorial Chemistry: A Short Course. Washington, DC: American Chemical Society; 1997. (in press).
Willett, Peter; Martin, Yvonne Connolly, eds. 1996. Design of Bioactive Molecules Using 3D Structural Information. Washington, DC: American Chemical Society; 1996.
Willett, Peter; Mitchell, Eleanor M. 1992. 3- D substructure searching in the Protein Data Bank. Institution: University of Sheffield, Department of Information Studies, Western Bank, Sheffield S10 2TN, UK. Period: 1 October 1986 - 30 September 1988; Completed. Filed: Dec 21,1992
Willett, Peter; Rasmussen, Edie M. 1992. Cluster analysis using parallel computer architectures. Institution: University of Sheffield, Department of Information Studies, Western Bank Sheffield S10 2TN. Period: 1 April 1986 - 31 March 1988; Completed. Filed: Dec 21,1992
Willett, Peter; Wilson, Terence D. 1992. Chemical graph matching on the Distributed Array Processor. Institution: University of Sheffield, Department of Information Studies, Western Bank, Sheffield S10 2TN, UK; SERC CASE Studentship in association with Active Memory Technology. Period: October 1988 - 1991. Filed: Dec 21,1992
Willett, Peter; Wilson, Terence D.; Reddaway, Stewart F. 1991. Atom-by-atom searching using massive parallelism. Implementation of the Ullmann subgraph isomorphism algorithm on the distributed array processor. Journal of Chemical Information and Computer Sciences. 31 (2): 225-233. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter; Winterman, Vivienne. 1986. A comparison of some measures for the determination of inter-molecular structural similarity: Measures of inter-molecular structural similarity. Quantitative Structure- Activity Relationships. 5 (1): 18-25. ISSN: 0722-3676; CODEN: QSARDI.
Willett, Peter; Winterman, Vivienne; Bawden, David. 1986. Implementation of nearest-neighbor searching in an online chemical structure search system. Journal of Chemical Information and Computer Sciences. 26 (1): 36-41. ISSN: 0095-2338; CODEN: JCISD8.
Willett, Peter; Winterman, Vivienne; Bawden, David. 1986. Implementation of nonhierarchic 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 (3): 109-118. ISSN: 0095-2338; CODEN: JCISD8.
Williams, James G.; Sochats, Kenneth M.; Morse, Emile. 1995. Visualization. Annual Review of Information Science and Technology. 30: 161-207. ISSN: 0066-4200; ISBN 1-57387-019-6; CODEN: ARISBC.
Williard, X.; Pop, I.; Bourel, L.; Horvath, D.; Baudelle, R.; Melnyk, P.; Deprez, B.; Tartar, A. 1996. Combinatorial chemistry: A rational approach to chemical diversity. European Journal of Medicinal Chemistry. 31 (2): 87-98. ISSN: 0223-5234; CODEN: EJMCA5.
Wilson, Terence D. 1991. Implementation of Graph- matching Techniques in Chemical Databases Using a Single Instruction Stream, Multiple Data Stream Array Processor. (at that time, soon to be MDL): University of Sheffield, Sheffield, England; 1991. (Ph.D. dissertation).
Wilson, Terence D. 1993. Chemical Searching on an Array Processor. Taunton, Somerset, England: Research Studies Press Ltd.; 1993. 197 p. ISBN: 0-86380-128-5; LC 92-19978.
Winterman, Vivienne. 1987. Use of automatic classification techniques in drug development programmes. University of Sheffield: University of Sheffield, Sheffield, England; 1987. (Ph.D. dissertation).
Wipke, W. Todd. 1977. Computer planning of research in organic chemistry. In: Ludena, Eduardo V.; Sabelli, Nora H.; Wahl, Arnold C., eds. Computers in Chemical Education and Research (Proceedings of the 3rd International Conference on Computers in Chemical Research, Education and Technology held at the Center for Advanced Studies, IVIC, Caracas, Venezuela, July 25-31, 1976). New York: Plenum; 1977. 381-391. ISBN: 0-306-31071-6; LC 77-9473.
Wipke, W. Todd. 1984. Computer modeling in research and development. Cosmetics and Toiletries. 99 (10): 73-82. ISSN: 0361-4387; CODEN: CTOIDG.
Wipke, W. Todd. 1985. Intelligence in constructing molecular models. Chemical Information Bulletin. 37: 36. ISSN: 0364-1910.
Wipke, W. Todd. 1987. Evolution of molecular graphics. In: Warr, Wendy A., ed. Graphics for Chemical Structures: Integration with Text and Data. Washington, DC: American Chemical Society; 1987. 1-8. ISBN: (none); ISSN 0097-6156.
Wipke, W. Todd. 1988. Encode/decode: Electronic mailing of complex files. Tetrahedron Computer Methodology. 1 (2): 181-182. ISSN: 0898-5529; CODEN: TCMTE6.
Wipke, W. Todd. 1988. REFFORM: An automatic reference and bibliography formatting system. Tetrahedron Computer Methodology. 1 (1): 87-92. ISSN: 0898-5529; CODEN: TCMTE6.
Wipke, W. Todd. 1995. Artificial-intelligence in molecular engineering. In: Abstracts of Papers, 209th American Chemical Society National Meeting. Washington, DC: American Chemical Society; 1995. COMP- 167. ISBN: 0-8412-3147-8; ISSN 0065-7727.
Wipke, W. T.; Braun, H.; Smith, G.; Choplin, F.; Sieber, W. 1977. SECS - simulation and evaluation of chemical synthesis: Strategy and planning. In: Wipke, W. Todd; Howe, W. Jeffrey, eds. Computer-Assisted Organic Synthesis. Washington, DC: American Chemical Society; 1977. 97-127. ISBN: 0-84120-3946.
Wipke, W. Todd; Dill, J.; Hounshell, W. Douglas; Moock, Thomas E.; Grier, David L. 1986. Exploring reactions with REACCS. In: Willett, Peter, ed. Modern Approaches to Chemical Reaction Searching. Aldershot, Hampshire, England: Gower; 1986. 92-117. ISBN: 0-566-03550-2; LC 86-3153.
Wipke, W. Todd; Dolata, Daniel P. 1986. A multivalued logic predicate calculus approach to synthesis planning. In: Pierce, Thomas H.; Hohne, Bruce A., eds. Artificial Intelligence Applications in Chemistry. Washington, DC: American Chemical Society; 1986. 188-208. ISBN: 0-8412-0966-9; ISSN 0097-6156; LC 86-3315.
Wipke, W. Todd; Dyott, Thomas M. 1974. Simulation and evaluation of chemical synthesis. Computer representation and manipulation of stereochemistry. Journal of the American Chemical Society. 96 (15): 4825-4834. ISSN: 0002-7863; CODEN: JACSAT.
Wipke, W. Todd; Dyott, Thomas M. 1974. Stereochemically Unique Naming Algorithm. Journal of the American Chemical Society. 96 (15): 4834-4842. ISSN: 0002-7863; CODEN: JACSAT.
Wipke, W. Todd; Dyott, Thomas M. 1975. Use of ring assemblies in a ring perception algorithm. Journal of Chemical Information and Computer Sciences. 15 (3): 140-147. ISSN: 0095-2338; CODEN: JCISD8.
Wipke, W. Todd; Goeke, G. L. 1974. Trans addition of the elements palladium-chlorine to a diene. Journal of the American Chemical Society. 96 (13): 4244-4249. ISSN: 0002-7863; CODEN: JACSAT.
Wipke, W. Todd; Goeke, G. L. 1975. Palladium dichloride complex of 4-vinylcyclohexene. Journal of Organic Chemistry. 40 (22): 3242-3246. ISSN: 0022-3263; CODEN: JOCEAH.
Wipke, W. Todd; Goldman, Brian. 1996. Molecular Shape Description for de novo Design. Recognition of Shape Similarity. In: Abstracts of Papers, 212th American Chemical Society National Meeting [25-29 August 1996, Orlando, FL]. Washington, DC: American Chemical Society; 1996. COMP-207. ISBN: 0-8412-3402-7; ISSN 0065-7727.
Wipke, W. Todd; Gund, P. 1976. Simulation and evaluation of chemical synthesis. Congestion: a conformation-dependent function of steric environment at a reaction center. Application with torsional terms to stereoselectivity of nucleophilic additions to ketones. Journal of the American Chemical Society. 98 (25): 8107-8118. ISSN: 0002-7863; CODEN: JACSAT.
Wipke, W. Todd; Gund, Peter H. 1974. Congestion. Conformation-dependent measure of steric environment. Derivation and application in stereoselective addition to unsaturated carbon. Journal of the American Chemical Society. 96 (1): 299-301. ISSN: 0002-7863; CODEN: JACSAT.
Wipke, W. Todd; Hahn, Mathew A. 1985. Intelligence in constructing molecular models. In: Abstracts of Papers, 190th American Chemical Society National Meeting. Washington, DC: American Chemical Society; 1985. COMP-38. ISBN: (none); ISSN 0065-7727.
Wipke, W. Todd; Hahn, Mathew A. 1986. Analogy and intelligence in model building. In: Pierce, Thomas H.; Hohne, Bruce A., eds. Artificial Intelligence Applications in Chemistry. Washington, DC: American Chemical Society; 1986. 136-146. ISBN: 0-8412-0966-9; ISSN 0097-6156; LC 86- 3315.
Wipke, W. Todd; Hahn, Mathew A. 1988. AIMB: Analogy and intelligence in model building. System description and performance characteristics. Tetrahedron Computer Methodology. 1 (2): 141-167. ISSN: 0898-5529; CODEN: TCMTE6.
Wipke, W. Todd; Hahn, Mathew A. 1989. Analogy in computer-assisted design. In: FauchŹre, Jean-Luc, ed. QSAR: Quantitative Structure-Activity Relationships in Drug Design (Proceedings of the 7th European Symposium on QSAR held in Interlaken, Switzerland, September 5-9, 1988). New York: Alan R. Liss; 1989. 141-145. ISBN: 0-8451-5141-X; ISSN 0361- 7742; LC 88-38355.
Wipke, W. Todd; Heller, Stephen R.; Feldmann, R. J.; Hyde, E., eds. 1974. Computer Representation and Manipulation of Chemical Information. New York: Wiley-Interscience; 1974. 328 pp. ISBN: 0-471-95595- 7.
Wipke, W. Todd; Howe, W. Jeffrey, eds. 1977. Computer Assisted Organic Synthesis. Washington, DC: American Chemical Society; 1977. 239 pp. ISBN: 0-84120-3946.
Wipke, W. Todd; Krishnan, S.; Ouchi, Glenn I. 1978. Hash functions for rapid storage and retrieval of chemical structures. Journal of Chemical Information and Computer Sciences. 18 (1): 32-37. ISSN: 0095- 2338; CODEN: JCISD8.
Wipke, W. Todd; Nourse, James G.; Moock, Thomas E. 1984. Generic queries in the MACCS system. In: Barnard, John M., ed. Computer Handling of Generic Chemical Structures. Aldershot, Hampshire, England: Gower; 1984. 167-178. ISBN: 0-566-03515-4; LC 84-13725.
Wipke, W. Todd; Ouchi, Glenn I.; Chou, J. T. 1983. Computer-assisted prediction of metabolism. In: Golberg, Leon, ed. Structure-Activity Correlation as a Predictive Tool in Toxicology: Fundamentals, Methods, and Applications. Washington, DC: Hemisphere; 1983. 151-169. ISBN: 0-89116-276-3; ISSN 0278-6265; LC 82-3007.
Wipke, W. Todd; Rogers, David. 1984. Artificial intelligence in organic synthesis. SST: starting material selection strategies. An application of superstructure search. Journal of Chemical Information and Computer Sciences. 24 (2): 71-81. ISSN: 0095-2338; CODEN: JCISD8.
Wipke, W. Todd; Rogers, David. 1984. Rapid subgraph search using parallelism. Journal of Chemical Information and Computer Sciences. 24 (4): 255-262. ISSN: 0095-2338; CODEN: JCISD8.
Wipke, W. Todd; Rogers, David. 1989. Tree- structured maximal common subgraph searching. An example of parallel computation with a single sequential processor. Tetrahedron Computer Methodology. 2 (3): 177-200. ISSN: 0898-5529; CODEN: TCMTE6.
Wipke, W. Todd; Vladutz, George E. 1990. An alternative view of reaction similarity: Citation analysis. Tetrahedron Computer Methodology. 3 (2): 83-107. ISSN: 0898-5529; CODEN: TCMTE6.
Wise, J. A.; Thomas, J. J.; Pennock, K.; Lantrip, D.; Pottier, M.; Schur, A.; Crow, V. 1995. Visualizing the Non-visual: Spatial Analysis and Interaction with Information from Text Documents. In: Gershon, Nahum; Eick, Steve, eds. Proceedings of the Information Visualization Conference [30-31 October 1995, Atlanta, GA]. Los Alamitos, CA: IEEE Computer Society Press; 1995. 51- 58,140. ISBN: 0-8186-7201-3; LC 95-80288; IEEE catalog no. 95TB100000.
Wisniewski, Janusz L. 1990. AUTONOM: System for computer translation of structural diagrams into IUPAC compatible names. 1. General design. Journal of Chemical Information and Computer Sciences. 30 (3): 324-332. ISSN: 0095-2338; CODEN: JCISD8.
Wisniewski, Janusz L. 1993. AUTONOM - A chemist's dream system for (micro)computer generation of IUPAC-compatible names from structural input. In: Warr, Wendy A., ed. Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3 - 7; Noordwijkerhout, The Netherlands. Berlin: Springer-Verlag; 1993. 55-63. ISBN: 3-540-56369-5; LC 92-45010.
Wisniewski, Janusz L.; Goebels, L.; Lawson, Alexander J. 1990. AUTONOM: Automatic generation of IUPAC-names from structural input. In: Gasteiger, Johann, ed. Software development in chemistry 4 (Proceedings of the 4th Workshop "Computers in Chemistry", Hochfilzen, Tyrol, Austria, November 22-24, 1989). Berlin: Springer-Verlag; 1990. 19-29. ISBN: 3-540-52173- 9; LC 90-9995.
Wochner, Micaela; Brandt, Josef; von Scholley, Annette; Ugi, Ivar. 1988. Chemical Similarity, Chemical Distance, and its Exact Determination. Chimia. 42 (6): 217-225. ISSN: 0009-4293; CODEN: CHIMAD.
Wooton, J. C.; Federhen, S. 1993. Statistics of local complexity in amino acid sequences and sequence databases. Computers & Chemistry. 17 (2): 149-164. ISSN: 0097-8485; CODEN: COCHDK.
Wozniak, K.; Krygowski, T. M. 1993. Structural features of lithium-oxygen bond retrieved for ionic crystals from Cambridge structural database and Inorganic Structural Data Base. Polish Journal of Chemistry. 67 (9): 1667-1674. ISSN: 0137-5083; CODEN: PJCHDQ.
Wright, Clifford D.; Cody, Wayne L.; Dunbar, James B., Jr.; Doherty, Annette M.; Hingorani, Gary P.; Rapundalo, Stephen T. 1994. Characterization of endothelins as chemoattractants for human neutrophils. Life Sciences. 55 (21): 1633-1641. ISSN: 0024-3205; CODEN: LIFSAK.
Wright, H.; Stead, G. A.; Brodlie, K. W. 1995. Interactive exploration of chemical reaction mechanisms using novel visualization and integration techniques. In: Gobel, M.; Muller, H.; Urban, B., eds. Visualization in Scientific Computing [30 May-1 June 1994, Rostock, Germany]. Wien, Austria: Springer-Verlag; 1995. 166-173.
Wright, N. D.; Povey, D. C.; Howlin, B. J. 1994. Development of a new data format to allow the study of structural diversity and ligand behavior in transition metal coordination complexes retrieved from the Cambridge Structural Database. Journal of Chemical Information and Computer Sciences. 34 (1): 103-108. ISSN: 0095-2338; CODEN: JCISD8.
Wu, Dachywan. 1996. W-curve: A linear time algorithm based on iterated function systems for computer visualization of long genomic sequences. Illinois Institute of Technology; Chicago; IL; USA: Illinois Institute of Technology; Chicago; IL; USA; 1996. 84 pp. ((unknown)). Available from: From degree- granting institution.
Xu, Jun. 1996. GMA: A generic match algorithm for structural homomorphism, isomorphism, and maximal common substructure match and its applications. Journal of Chemical Information and Computer Sciences. 36 (1): 25-34. ISSN: 0095-2338; CODEN: JCISD8.
Yamamoto, Yoshio; Ishihara, Yuji; Kuntz, Irwin D. 1994. Docking Analysis of a Series of Benzylamino Acetylcholinesterase Inhibitors with a Phthalimide, Benzoyl, or Indanone Moiety. Journal of Medicinal Chemistry. 37 (19): 3141-3153. ISSN: 0022-2623; CODEN: JMCMAR.
Yan, Xinjian; Wang, Shaomeng; Hodoscek, Milan; Milne, George W. A. 1994. Prediction of geometries and interaction energies of complexes formed by small molecules using semiempirical and ab initio methods. Theochem. 115 (3): 279-294. ISSN: 0166-1280; CODEN: THEODJ.
Yanaka, Mikiro; Nakamura, Kazuhiko; Kurumisawa, Azusa; Wipke, W. Todd. 1990. Automatic knowledge base building for the organic synthesis design program (SECS). Tetrahedron Computer Methodology. 3 (6A): 359-375. ISSN: 0898-5529; CODEN: TCMTE6.
Yao, Yu-Yuan; Xu, Lu; Yang, Yi-Qiu; Yuan, Xiu- Shun. 1993. Study on structure-activity relationships of organic compounds: Three new topological indices and their applications. Journal of Chemical Information and Computer Sciences. 33 (4): 590-594. ISSN: 0095-2338; CODEN: JCISD8.
Yasukawa, Tamio; Satoh, Katsunori; Gotoh, Noriaki; Ishida, Toshimasa; Sumiya, Shiegeuki; Kitamura, Kunihiro. 1990. A Method to Detect Common Features Necessary for Biological Activity: Application of ANALOGS for Aldose Reductase Inhibitors. Tetrahedron Computer Methodology. 3 (1): 3-14. ISSN: 0898-5529; CODEN: TCMTE6.
Yewdall, Stephen J.; Lawson, David M.; Artymiuk, Peter J.; Treffry, Amyra; Harrison, Pauline M.; Luzzago, Alessandra; Cesareni, Gianni; Levi, Sonia; Arosio, Paolo. 1990. Structural studies on recombinant human ferritins. Biochemical Society Transactions. 18 (5): 1028-1029. ISSN: 0300-5127; CODEN: BCSTB5.
Yip, K.; Tam, K. Y.; Yiu, K. F. C. 1997. An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions. Journal of Chemical Information and Computer Sciences. 37 (2): 367-371. ISSN: 0095-2338; CODEN: JCISD8.
Yip, K. S. P.; Stillman, T. J.; Britton, K. L.; Artymiuk, Peter J.; Baker, Patrick J.; Sedelnikova, S. E.; Engel, P. C.; Pasquo, A.; Chiaraluce, R.; Consalvi, V.; Scandurra, R.; Rice, David W. 1995. The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures. Structure. 3 (11): 1147-1158. ISSN: 0969-2126; CODEN: STRUE6.
Young, S. Stanley; Farmen, Mark; Rusinko, Andrew, III. 1996. Random versus rational: Which is better for general compound screening? Network Science. 2 (8). (http://www.netsci.co m/Science/Screening/feature09.html). ISSN: 1092-7360; CODEN: NESCF2.
Young, S. Stanley; Hawkins, Douglas M. 1995. Analysis of a 29 Full Factorial Chemical Library. Journal of Medicinal Chemistry. 38 (14): 2784-2788. ISSN: 0022-2623; CODEN: JMCMAR.
Yuan, Shengang; Zhao, Xia; Zeng, Fanyou; Zheng, Chongzhi. 1989. QSAR oriented computer representation of chemical compounds used in CISOC-SARSS. In: FauchŹre, Jean-Luc, ed. QSAR: Quantitative Structure- Activity Relationships in Drug Design (Proceedings of the 7th European Symposium on QSAR held in Interlaken, Switzerland, September 5-9, 1988). New York: Alan R. Liss; 1989. 195-198. ISBN: 0-8451-5141-X; ISSN 0361-7742; LC 88-38355.
Yuan, Shengang; Zheng, Chongzhi; Zhao, Xia; Zeng, Fanyou. 1990. Identification of maximal common substructures in structure/activity studies. Analytica Chimica Acta. 235 (1): 239-241. ISSN: 0003-2670; CODEN: ACACAM.
Zaborowski, Mary Jo; DeWitt, Sheila Hobbs. 1995. Data management for combinatorial chemistry. Network Science. 1 (5). (http://www.netsci.c om/Science/Combichem/feature13.html). ISSN: 1092-7360; CODEN: NESCF2.
Zabrocki, Janusz; Dunbar, James B., Jr.; Marshall, Keith W.; Toth, Mihaly V.; Marshall, Garland R. 1992. Conformational mimicry. 3. Synthesis and incorporation of 1,5-disubstituted tetrazole dipeptide analogs into peptides with preservation of chiral integrity: Bradykinin. Journal of Organic Chemistry. 57 (1): 202-209. ISSN: 0022-3263; CODEN: JOCEAH.
Zabrocki, Janusz; Smith, G. David; Dunbar, James B., Jr.; Iijima, Hiroshi; Marshall, Garland R. 1988. Conformational mimicry. 1. 1,5- Disubstituted tetrazole ring as a surrogate for the cis amide bond. Journal of the American Chemical Society. 110 (17): 5875-5880. ISSN: 0002-7863; CODEN: JACSAT.
Zabrocki, Janusz; Smith, G. David; Dunbar, James B., Jr.; Marshall, K. W.; Toth, Mihaly V.; Marshall, Garland R. 1989. Tetrazole peptide analogs. In: Jung, Gźnther; Bayer, Ernst, eds. Pept., Proc. Eur. Pept. Symp., 20th. Berlin, Fed. Rep. Ger: de Gruyter; 1989. 295-297.
Zachary, W.; Hicinbothom, J. 1992. Tools for communicating with chemical information: A cognitive engineering analysis. In: ?, ed. Innovations for Interactions. Proceedings of the Human Factors Society 36th Annual Meeting [12-16 Oct. 1992, Atlanta, GA]. Santa Monica, CA: Human Factors Soiety; 1992. 193-197.
Zachmann, Carl-Dieter; Kast, Stefan Michael; Brickmann, Jźrgen. 1995. Quantification and visualization of molecular surface flexibility. Journal of Molecular Graphics. 13 (2): 89-97. ISSN: 0263-7855; CODEN: JMGRDV.
Zaharevitz, Daniel W.; Gussio, R.; Pattabiraman, N.; Kellogg, G. E.; Yang, S.; Bader, J. P. 1996. Combination of 3D QSAR and 3D Database Searching in the Discovery of Novel Inhibitors of HIV-1 Reverse Transcriptase. In: Abstracts of Papers, 211th American Chemical Society National Meeting [24-28 March 1996, New Orleans, LA]. Washington, DC: American Chemical Society; 1996. CINF-41. ISBN: 0-8412-3397-7; ISSN 0065-7727.
Zaharevitz, Daniel W.; Yan, Xinjian; Wang, Shaomeng; Milne, George W. A. 1995. An Update to the NCI Drug Information System 3D Database. In: Bachrach, Steven M.; Hase, William; Boyd, Donald B.; Rzepa, Henry S.; Gray, Stephen K., eds. Proceedings of the 1st Electronic Computational Chemistry Conference (7-Nov to 2-Dec 1994), CD-ROM Version. Landover, MD: ARInternet Corp.; 1995. 33 p. ISBN: (none); (ARInternet order no. CD 101). Available from: ARInternet Corp., 8201 Corporate Drive Suite 1100, Landover, MD 20785.
Zalewski, R. I.; Jasiczak, J. 1994. Structure- property relationship in sweeteners. Journal of Chemical Information and Computer Sciences. 34 (1): 179-183. ISSN: 0095-2338; CODEN: JCISD8.
Zamora, Antonio; Dayton, David L. 1976. The Chemical Abstracts Service Chemical Registry System. V. Structure input and editing. Journal of Chemical Information and Computer Sciences. 16 (4): 219-222. ISSN: 0095-2338; CODEN: JCISD8.
Zarna, Nicolae; Constantinescu, Titus; Caldararu, Horia; Caragheorgheopol, Agneta; Stanciuc, Gabriela; Balaban, Alexandru T.; Laihla, Katri; Kolehmainen, Erkki. 1995. Hydrophobic supramolecular complexes of various cations with 18-crown-6 as the ligand and N-methoxypicramide as the anion pair in a water/methylene chloride two-phase system: Complexes with .alpha.-amino acids, their characteristics and conditions for formation. Supramolecular Science. 2 (1): 37-40. ISSN: 0968-5677; CODEN: SUSCFX.
Zarna, Nicolae; Stanciuc, Gabriela; Constantinescu, Titus; Chiraleu, Filip; Caldararu, Horia; Caragheorgheopol, Agneta; Caproiu, Miron Teodor; Ionescu, Mariana; Balaban, Alexandru T. 1994. Electronic structure and acid- base properties of some N-alkoxy-polynitroanilines. Roumanian Chemical Quarterly Reviews. 2 (2): 67-81. ISSN: 1221-5260; CODEN: RCQREW.
Zass, Engelbert. 1994. Chemical information from public databases: Recent changes and current trends. Chimia. 48 (4): 109-111. ISSN: 0009-4293; CODEN: CHIMAD.
Zass, Engelbert. 1996. From handbooks to databases on the Net: New solutions and old problems in information retrieval for chemists. Journal of Chemical Information and Computer Sciences. 36 (5): 942-948. ISSN: 0095-2338; CODEN: JCISD8.
Zass, Engelbert; Donner, Wolfgang; Sendelbach, Jźrgen; Zirz, Constantin. 1995. Experience with the use of Beilstein inhouse (CrossFire) in an academic and industrial environment. In: Collier, Harry R., ed. Proceedings of the [7th] 1995 International Chemical Information Conference (Nimes, France, 23-25 October 1995). Calne, England: Infonortics Ltd.; 1995. 138- 144. ISBN: 1-873699-18-2.
Zavrel, J. 1996. Neural navigation interfaces for information retrieval: Are they more than an appealing idea? Artificial Intelligence Review. 10 (5-6): 477-504. ISSN: 0269-2821; CODEN: AIREV6.
Zefirov, Nikolai S.; Baskin, Igor I.; Palyulin, Vladimir A. 1994. SYMBEQ Program and Its Application in Computer-Assisted Reaction Design. Journal of Chemical Information and Computer Sciences. 34 (4): 994-999. ISSN: 0095-2338; CODEN: JCISD8.
Zeigarnik, Andrew V.; Temkin, Oleg N.; Bonchev, Danail G. 1996. Application of Graph Theory to Chemical Kinetics. 3. Topological Specificity of Multiroute Reaction Mechanisms. Journal of Chemical Information and Computer Sciences. 36 (5): 973-981. ISSN: 0095-2338; CODEN: JCISD8.
Zein, Nada; Poncin, Marc; Nilakantan, Ramaswamy; Ellestad, George A. 1989. Calicheamicin .gamma.1I and DNA: Molecular recognition process responsible for site-specificity. Science. 244 (4905): 697-699. ISSN: 0036-8075; CODEN: SCIEAS.
Zhang, Fu Ji; Cheng, Rong Si. 1989. The construction method of Kekulean hexagonal systems with each hexagon being resonant. Match. (24): 323-332. ISSN: 0340-6253; CODEN: MATCDY.
Zhang, Fu Ji; Guo, Xiao Feng. 1987. Characterization of an invariant for benzenoid systems. Match. (22): 181-194. ISSN: 0340-6253; CODEN: MATCDY.
Zhang, Fu Ji; Guo, Xiao Feng. 1988. The necessary and sufficient conditions for benzenoid systems with small number of hexagons to have Kekule patterns. Match. (23): 229-238. ISSN: 0340-6253; CODEN: MATCDY.
Zhang, Fu Ji; Zhou, Ming Kun. 1988. Matching polynomials of two classes of graphs. Discrete Applied Mathematics. 20 (3): 253-260. ISSN: 0166-218X; CODEN: DAMADU.
Zheng, Qiang. 1995. Computational Screening of Combinatorial Libraries (Computational Aspects of Chemical Libraries: Abstracts of the Molecular Graphics and Modelling Society Conference, University of Leeds, UK, 10-12 April, 1995). Chemical Design Automation News. 10 (4): 39. ISSN: 0886-6716; CODEN: CDANEK.
Zheng, Qiang; Kyle, Donald J. 1996. Computational Screening of Combinatorial Libraries. Bioorganic & Medicinal Chemistry. 4 (5): 631-638. ISSN: 0968-0896; CODEN: BMECEP.
Zhu, Hongyao; Balaban, Alexandru T.; Klein, Douglas J.; Zivkovic, Tomislav P. 1994. Conjugated-circuit computations on two- dimensional carbon networks. Journal of Chemical Physics. 101 (6): 5281- 5292. ISSN: 0021-9606; CODEN: JCPSA6.
Zipf, George Kingsley. 1965. The Psycho-Biology of Language: An Introduction to Dynamic Philology. Cambridge, MA: MIT Press; 1965. 336 p. ISBN: (none); LC 65-5678; RLIN G011309129-B.
Zivkovic, Tomislav P. 1988. Graphical representation of regular resonance structures and their linear dependence. Discrete Applied Mathematics. 19 (1-3): 397-414. ISSN: 0166-218X; CODEN: DAMADU.
Zivkovic, Tomislav P.; Randi«c, Milan; Klein, Douglas J.; Zhu, H. Y.; Trinajsti«c, Nenad. 1995. Analytical approach to very large benzenoid polymers. Journal of Computational Chemistry. 16 (4): 517- 526. ISSN: 0192-8651; CODEN: JCCHDD.
Zsoldos, Z.; Johnson, A. Peter; Gillet, Valerie J.; Myatt, G. J.; Bayada, Denis M. 1995. A software toolkit for de novo ligand design. In: Bachrach, Steven M.; Hase, William; Boyd, Donald B.; Rzepa, Henry S.; Gray, Stephen K., eds. Proceedings of the 1st Electronic Computational Chemistry Conference (7-Nov to 2-Dec 1994), CD-ROM Version. Landover, MD: ARInternet Corp.; 1995. 22 pp. ISBN: (none); CD 101.
Zuckermann, Ronald N.; Figliozzi, Gianine M.; Banville, Steven C.; Kerr, Janice M.; Siani, Michael A.; Martin, Eric J.; Brown, Edward G.; Wang, Liang. 1994. Automated tools for the production of non-natural molecular diversity. In: Epton, Roger, ed. Innovation and Perspectives in Solid Phase Synthesis: Peptides, Proteins and Nucleic Acids (Collected papers, 3rd international symposium, 31st August - 4th September, 1993, Oxford, England). Birmingham, UK: Mayflower Worldwide; 1994. 397-402. ISBN: 0-95157351-9; LC 94-81002.
Zuckermann, Ronald N.; Heubner, Verena D.; Santi, Daniel V.; Siani, Michael A. 1991. Method and apparatus for biopolymer synthesis. WO 9117823 A1 (Nov 28, 1991). Assigned to: Protos Corp. Application: WO 91US2776 (Apr 23, 1991) *US 523791 (May 15, 1990) *US 652194 (Feb 7, 1991). Class: B01J-019/00A; C07K- 001/04B; C07H-021/00B. 65 pp.
Zuckermann, Ronald N.; Kerr, Janice M.; Siani, Michael A.; Banville, Steven C. 1992. Design, construction and application of a fully automated equimolar peptide mixture synthesizer. International Journal of Peptide and Protein Research. 40 (6): 497-506. ISSN: 0367-8377; CODEN: IJPPC3.
Zuckermann, Ronald N.; Kerr, Janice M.; Siani, Michael A.; Banville, Steven C.; Santi, Daniel V. 1992. Identification of highest- affinity ligands by affinity selection from equimolar peptide mixtures generated by robotic synthesis. Proceedings of the National Academy of Sciences, U.S.A. 89 (10): 4505-4509. ISSN: 0027-8424; CODEN: PNASA6.
Zuckermann, Ronald N.; Martin, Eric J.; Spellmeyer, David C.; Stauber, Gregory B.; Shoemaker, Kevin R.; Kerr, Janice M.; Figliozzi, Gianine M.; Goff, Dane A.; Siani, Michael A.; Simon, Reyna J.; Banville, Steven C.; Brown, Edward G.; Wang, Liang; Richter, Lutz S.; Moos, Walter H. 1994. Discovery of Nanomolar Ligands for 7-Transmembrane G-Protein-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library. Journal of Medicinal Chemistry. 37 (17): 2678-2685. ISSN: 0022-2623; CODEN: JMCMAR.
Zupan, Jure. 1982. Clustering of Large Data Sets. Letchworth, Hertfordshire, England: Research Studies Press Ltd.; 1982.
Zupan, Jure; Gasteiger, Johann. 1991. Neural networks: A new method for solving chemical problems or just a passing phase? Analytica Chimica Acta. 248 (1): 1-30. ISSN: 0003-2670; CODEN: ACACAM.
Zupan, Jure; Gasteiger, Johann. 1993. Neural networks for chemists: An introduction. Weinheim: VCH; 1993. 305 pp. ISBN: 3-527-28592-X; LC 93-3603.
Zupan, Jure; Novic(inv-^), Marjana. 1994. Counter-propagation learning strategy in neural networks and its application in chemistry. In: Collier, Harry R., ed. Further Advances in Chemical Information (Proceedings of the Montreux International Chemical Information Conference, Annecy, France, 18-20 October 1993). Cambridge, England: The Royal Society of Chemistry; 1994. 92-108. ISBN: 0-85186-545-3; ISSN 0260-6291.
Zupan, Jure; Novic(inv-^), Marjana; Gasteiger, Johann. 1995. Neural networks with counter-propagation learning strategy used for modelling. Chemometrics and Intelligent Laboratory Systems. 27 (2): 175-187. ISSN: 0169-7439; CODEN: CILSEN.
Zupan, Jure; Novic(inv-^), Marjana; Li, Xinzhi; Gasteiger, Johann. 1994. Classification of multicomponent analytical data of olive oils using different neural networks. Analytica Chimica Acta. 292 (3): 219-234. ISSN: 0003-2670; CODEN: ACACAM.

greg.paris@pharma.novartis.com

cgp@res.nibr.com

cgp@scils.rutgers.edu

Converted: 19-May-97

Most recent update: 14-May-99