Neural Network Classification of Mutagens Using Structural Fragment Data

References

• Dunn , W. J. and Wold , S. 1990 . “ Pattern recognition techniques in drug design ” . In Comprehensive Medicinal Chemistry Vol. 4. Quantitative Drug Design , Edited by: Hansch , C. , Sammes , P. G. and Taylor , J. B. 691 – 714 . Oxford : Pergamon Press .
   Google Scholar
• Karcher , W. and Devillers , J. 1991 . “ Practical Applications of Quantitative Structure-Activity Relationships (QSAR) ” . In Environmental Chemistry and Toxicology , 475 Dordrecht : Kluwer Academic Publishers .
   Google Scholar
• Various authors . 1990 . Comprehensive Medicinal Chemistry Vol. 4. Quantitative Drug Design , Oxford : Pergamon Press . Chapters 18.1-18.8
   Google Scholar
• Craig , P. N. 1990 . “ Substructural Analysis and Compound Selection ” . In Comprehensive Medicinal Chemistry Vol. 4. Quantitative Drug Design , Edited by: Hansch , C. , Sammes , P. G. and Taylor , J. B. 645 – 666 . Oxford : Pergamon Press .
   Google Scholar
• Bawden , D. 1983 . Computerized chemical structure-handling techniques in structure-activity studies and molecular property prediction . J. Chem. Inf. Comput. Sci. , 23 : 14 – 22 .
   Google Scholar
• Ashby , J. and Tennant , R. W. 1988 . Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the US. NCI/NTP . Mutat. Res. , 204 : 17 – 115 .
   PubMed Web of Science ®Google Scholar
• Enslein , K. , Blake , B. W. , Tomb , M. E. and Borgstedt , H. H. 1986/87 . Prediction of Ames test results by structure-activity relationships . In Vitro Toxicol. , 1 : 33 – 44 .
   Google Scholar
• Klopman , G. 1984 . Artificial intelligence approach to structure-activity studies: Computer automated structure evaluation of biological activity or organic molecules . J. Am. Chem. Soc. , 106 : 7315 – 7321 .
   Web of Science ®Google Scholar
• De Saint Laumer , J. Y. , Chastrette , M. and Devillers , J. 1991 . “ Multilayer neural networks applied to structure-activity relationships ” . In Applied Multivariate Analysis in SAR and Environmental Studies , Edited by: Devillers , J. and Karcher , W. 479 – 521 . Dordrecht : Kluwer Academic Publishers .
   Google Scholar
• RTECS on CHEMBANK CD-ROM . January 1988 . January , London : Distributed by Silver Platter Ltd. . Version 1.5
   Google Scholar
• Pc-Daring . Cheshire : Fraser Williams (Scientific Systems). Ltd., Poynton . Version 3.5, SK12 1YP
   Google Scholar
• Downs , D. M. , Poirrette , A. R. , Willett , P. and Walsh , P. T. 1993 . “ Evaluation of similarity searching method using activity and toxicity data ” . In Chemical Srructures 2 , Edited by: Warr , W. A. Berlin : Springer-Verlag .
   Google Scholar
• Welford , S. M. , Lynch , M. F. and Barnard , J. M. 1984 . Computer storage and retrieval of generic chemical structures in patents. 5. Algorithmic generation of fragment descriptors for generic structure screening . J. Chem. Inf. Comput. Sci. , 24 : 57 – 66 .
   Google Scholar
• Dittmar , P. G. , Farmer , N. A. , Fisanick , W. , Haines , R. C. and Mockus , J. 1983 . The CAS ONLINE search system. 1. General system design and selection, generation, and use of search screens . J. Chem. Inf. Comput. Sci. , 23 : 93 – 102 .
   Google Scholar
• Downs , G. M. , Gillet , V. J. , Holliday , J. D. and Lynch , M. A. 1989 . Computer storage and retrieval of generic chemical structures. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics . J. Chem. Inf. Comput. Sci. , 29 : 215 – 224 .
   Google Scholar
• Neural Ware Inc. Sewickley, PA 103 Buckskin Court, 15143
   Google Scholar
• Walsh , P. T. 1989 . “ Similarity and clustering of chemical structure information: Application to the RTECS database to explore structure-activity relationships for chemical toxicity prediction ” . University of Sheffield . MSc. Thesis
   Google Scholar
• Klimasauskas , C. C. 1991 . Neural nets tell why . Dr Dobb's Journal , 175 : 18 – 24 .
   Google Scholar
• Lin , G. H.Y. and Soladar , W. E. 1988 . Structure-activity relationship studies on the mutagenicity of some azo dyes in the salmonella/microsome assay . Mutagenesis , 3 : 311 – 315 .
   PubMed Web of Science ®Google Scholar