Substructure Search Systems. 1. Performance Comparison of the MACCS, DARC, HTSS, CAS Registry MVSSS, and S4 Substructure Search Systems

Journal of Chemical Information and Computer Sciences

Volumn 30, Issue 2, 1990, Pages 191-199

  Hicks, Martin G ^a   Jochum, Clemens ^a  

^a Beilstein Institut   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0007602781     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci00066a018     Document Type: Article

References (19)

1. Willett, P. A Review of Chemical Structure Retrieval Systems. J. Chemom. 1987, 1, 139-155.
2. Willett, P. Similarity and Clustering in Chemical Information Systems. Research Studies Press Ltd.: Letchworth, Hertfordshire, England, 1987; pp 10-18.
3. Ash, J. E.; Chubb, P. A.; Ward, S. E.; Welford, S. M.; Willett, P. Chemical Structure Search Systems and Services. In Communication, Storage and Retrieval of Chemical Information; Ellis Horwood: Chichester, U.K., 1985.
4. Stobaugh, R. E. Chemical Substructure Searching. J. Chem. Inf. Comput. Sci. 1985, 25, 271-275.
5. Barnard, J. M. Problems of Substructure Searching and Their Solution. In Chemical Structures; Warr, W. A., Ed.; Springer-Verlag: Berlin, 1988; pp 113-126.
6. Morgan, H. L. The Generation of a Unique Machine Description for Chemical Structures—a Technique Developed at Chemical Abstracts Service. J. Chem. Doc. 1965, 5, 107-113.
7. Wipke, W. T.; Dyott, T. M. Stereochemically Unique Naming Algorithm. J. Am. Chem. Soc. 1974, 96, 4825-4834.
8. Petrarca, A. E.; Lynch, M. F.; Rush, J. E. A Method for Generating Unique Computer Structural Representations of Stereoisomers. J. Chem. Doc. 1967, 7, 154-165.
9. Lynch, M. F. The Microstructure of Chemical Databases and the Choice of Representations for Retrieval. In Computer Representation and Manipulation of Chemical Information; Wipke, W. T., Heller, S. R„ Feldmann, R. J., Hyde, E., Eds.; Wiley: New York, 1974.
10. Lynch, M. F. Screening Large Chemical Files. In Chemical Information Systems; Ash, J. E., Hyde, E., Eds.; Ellis Horwood: Chichester, U.K., 1974; pp 177-194.
11. Graf, W.; Kaindl, H. K.; Kniess, H.; Warszawski, R. The Third Basic Fragment Search Dictionary. J. Chem. Inf. Comput. Sci. 1982, 22, 177-181.
12. Dittmar, P. G.; Farmer, N. A.; Fisanick, W.; Haines, R. C.; Mockus, J. The CAS Online Search System. 1. General Design and Selection, Generation and Use of Search Screens. J. Chem. Inf. Comput. Sci. 1983, 23, 93-102.
13. Farmer, N.; Amoss, J.; Farel, W.; Fehribach, J.; Zeidner, C. The Evolution of the CAS Parallel Structure Searching Architecture. In Chemical Structures; Warr, W. A., Ed.; Springer-Verlag: Berlin, 1988; pp 283-295.
14. Ahrens, E. K. F. Customisation for Chemical Database Applications. In Chemical Structures; Warr, W. A., Ed.; Springer-Verlag: Berlin, 1988; pp 97-111.
15. Shlevin, H. H.; Graham, M. M.; Pennington, D. F.; von Wartburg, W. Integration of Chemical Structures with Information in Support of Business Needs. In Chemical Structures; Warr, W. A., Ed.; Springer-Verlag: Berlin, 1988; pp 79-90.
16. Dubois, J.-E.; Panaye, A.; Attias, R. DARC System: Notions of Defined and Generic Substructures. Filiation and Coding of FREL Substructure (SS) Classes. J. Chem. Inf. Comput. Sci. 1987, 27, 74-82.
17. Attias, R. DARC Substructure Search System: A New Approach to Chemical Information. J. Chem. Inf. Comput. Sci. 1983, 23, 102-108.
18. Nagy, M. Z.; Kozics, S., Veszpremi, T.; Bruck, P. Substructure Search on Very Large Files Using Tree-Structured Databases. In Chemical Structures; Warr, W. A., Ed.; Springer-Verlag: Berlin, 1988; pp 127-130.
19. Hicks, M. G.; Jochum, C.; Maier, H. Substructure Search System for Large Chemical Databases. Proceedings of the IXth ICCCRE. Anal. Chim. Acta (in press).