This paper addresses the problems associated with chemical structure searching of the patent literature. The deficiencies of existing services are reviewed, and the results of continuing research aimed at overcoming these problems are presented. These take the form of a systematic structure description language (GENSAL) for generic structure input, a topological representation of generic structure (ECTR) suitable for ma chine processing, and algorithmic screening strategies for generic structure searching and retrieval.
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References
1.
G.W. Adamson , J. Cowell, M.F. Lynch, A.H.W. McLure, W.G. Town and A.M. Yapp, Strategic considerations in the design of a screening system for substructure searches of chemical structure files, J. Chem. Doc.13 (1973) 153-157.
2.
R. Attias, DARC substructure search system: A new approach to chemical information, paper given at 182nd. National Meeting of theAmerican Chemical Society, New York, August 1981.
3.
M.Z. Balant and J.M. Emberger, A unique fragmentation system for indexing patent literature, J. Chem. Inf. Comput. Sei.15 (1975) 100-104.
4.
J.M. Barnard , M.F. Lynch and S.M. Welford, Computer storage and retrieval of generic chemical structures in patents, Part 2. GENSAL: a formal language for the description of generic chemical structures, J. Chem. Inf. Comput. Sci.21 ( 1981) 151-161.
5.
J.M. Barnard , M.F. Lynch and S.M. Welford, Computer storage and retrieval of generic chemical structures in patents, Part 4. An extended connection table representation (ECTR) for generic structures, J. Chem. Inf. Comput. Sci.22 ( 1982).
6.
J.D. Dill, W.D. Hounshell, S. Marson, S. Peacock and W.T. Wipke, Search and retrieval using an automated molecular access system, paper given at 182nd. National Meeting of the American Chemical Society, New York, August 1981.
7.
N.A. Farmer and M.F. O'Hara, CAS online—a new source of substance information from chemical abstracts service, Database (Dec. 1980) 10-25.
8.
W. Graf, H.K. Kaindl, H. Kneiss, B. Schmidt and R. Warszawski, Substructure retrieval by means of the BASIC fragment search dictionary based on the Chemical Abstracts Service chemical registry III system, J. Chem. Inf. Comput. Sci.19 ( 1979) 51-55.
9.
S.M. Kaback , Chemical structure searching in Derwent's world patents index, J. Chem. Inf. Comput. Sci.20 (1980) 1-6.
10.
E.V. Krishnamurthy and M.F. Lynch, Coding and analysis of generic chemical formulae in chemical patents, J. Inform. Sci.3 (1981) 75-81.
11.
M.F. Lynch , J.M. Barnard and S.M. Welford, Computer storage and retrieval of generic chemical structures in patents, Part 1. Introduction and general strategy , J. Chem. Inf. Comput. Sci.21 (1981) 148-150.
12.
P.A. Machin , J.N. Mills, O.S. Mills and M. Elder, CSSR crystal structure search retrieval , Revised Version, SERC Daresbury Laboratory, Warrington, England (1977).
13.
G.W.A. Milne and S.R. Heller, NIH/EPA chemical information system, J. Chem. Inf. Comput. Sci.20 ( 1980) 204-211.
14.
S. Rossler and A. Kolb, The GREMAS system, an integral part of the IDC system for chemical documentation, J. Chem. Doc.10 (1970) 138-134.
15.
S.M. Welford , M.F. Lynch and J.M. Barnard, Computer storage and retrieval of generic chemical structures in patents, Part 3. Chemical grammars and their role in the manipulation of chemical structures, J. Chem. Inf. Comput. Sci.21 ( 1981) 161-168.
16.
S.M. Welford , M.F. Lynch and J.M. Barnard, Computer storage and retrieval of generic chemical structures in patents, Part 5. Algorithmic generation of fragment descriptors for generic structure screening, in preparation .
