Chemical Structures

1. Front Matter

   Pages I-XII

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2. Keynote Address R & D in Chemical Information Science: Retrospect and Prospect

   • Michael F Lynch

   Pages 1-10

3. Future Directions in Integrated Information Systems: Is There a Strategic Advantage?

   • Myra Williams, Gary Franklin

   Pages 11-21

4. Current Approaches and New Directions in the Management of In-House Chemical Structure Databases

   • Tom R Hagadone

   Pages 23-41

5. Development of an Integrated System for Handling Chemical Structures and Associated Data

   • Michael J Allen

   Pages 43-43

6. (Inter)Facing DARC - ORACLE

   • A J C M de Jong, A M C Deibel

   Pages 45-51

7. Using OSAC to Keep Structures in Their Place

   • David S Magrill

   Pages 53-62

8. Development of the Pfizer Integrated Research Data System Socrates

   • David Bawden, Trevor K Devon, D Tony Faulkner, Jeremy D Fisher, John M Leach, Robert J Reeves et al.

   Pages 63-75

9. CAS and MDL Registry Systems at Eastman Kodak Company

   • Arnold P Lurie

   Pages 77-78

10. Integration of Chemical Structures with Information in Support of Business Needs

    • Harold H Shlevin, Marc M Graham, David F Pennington, Werner von Wartburg

    Pages 79-90

11. Poster Session: Moving to an Online Environment for Chemical Information at Merck and Company

    • William L Henckler, Debra L Allison, Patricia L Combs, Gary S Franklin, Walter B Gall, Susan J Sallamack

    Pages 91-95

12. Customisation for Chemical Database Applications

    • Erick K F Ahrens

    Pages 97-111

13. Problems of Substructure Search and Their Solution

    • John M Barnard

    Pages 113-126

14. Substructure Search on Very Large Files Using Tree-Structured Databases

    • M Z Nagy, S Kozics, T Veszpremi, P Bruck

    Pages 127-130

15. Substructure Searching in Files of Three-Dimensional Chemical Structures

    • Andrew T. Brint, Eleanor Mitchell, Peter Willett

    Pages 131-144

16. Browsing and Clustering of Chemical Structures

    • David Bawden

    Pages 145-150

17. The Sheffield University Generic Chemical Structures Project — A Review of Progress and of Outstanding Problems

    • Geoffrey M Downs, Valerie J Gillet, John Holliday, Michael F Lynch

    Pages 151-167

18. Generic Searching of Patent Information

    • Kathleen E Shenton, Peter Norton, E Anthony Ferns

    Pages 169-178

19. Poster Session: A Search System of Generic Names in the List of Existing Chemical Substances of Japan with Generic Structures

    • Yoshihiro Kudo

    Pages 179-185

20. Building a Structure-Oriented Numerical Factual Database

    • Clemens Jochum

    Pages 187-193

This book constitutes the Proceedings of the conference 'Chemical Structures: The International Language of Chemistry' which was held at Leeuwenhorst Congress Centre, Noordwijkerhout in the Netherlands, between May 31 and June 4, 1987. The conference was jointly sponsored by the Chemical Structure Association, the American Chemical Society Division of Chemical Information, and the Chemical Information Groups of the Royal Society of Chemistry and the German Chemical Society. The purpose of the conference was to bring together experts and an international professional audience to discuss and to further basic and applied research and development in the processing, storage, retrieval and use of chemical structures, to focus international attention on the importance of chemical information and the vital research being carried out in chemical information science and to foster co-operation among major chemical information organisations in North America and Europe. Subjects covered included integrated in-house databases, substructure searching methodology, spectral databanks, new technologies (microcomputers, CD-ROM, parallel processing and expert systems) and chemical reactions. The keynote address was given by Mike Lynch of the University of Sheffield. In this, the opening chapter of the book, Mike discusses progress made in chemical information science in the last fifteen years and describes his own approach to research. In a plenary session, Myra Williams of Merck, Sharp and Dohme considered future trends from the point of view of the information manager and strategic planner in industry. She emphasises the need for integration, open architecture and a uniform user interface.

• CAOS
• Chemical reaction
• Hardware
• artificial intelligence
• calculus
• chemical structure
• chemistry
• computer
• database
• electronic publishing
• expert system
• molecule
• reactions
• software development

• Information Services Section, ICI Pharmaceuticals Division, Macclesfield, Cheshire, UK

  Wendy A. Warr

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