Sar modeling of unbalanced data sets

References

• 1994 . Science and judgment in risk assessment. , Washington, D.C. : National Academy Press .
   Google Scholar
• McKinney , I. D. , Richard , A. , Waller , C. , Newman , M. C. and Gerberick , F. 2000 . The practice of structure-activity relationships (SAR) in toxicology . Toxicol. Sci. , 56 : 8 – 17 .
   PubMed Web of Science ®Google Scholar
• Rosenkranz , H. S. , Cunningham , A. R. , Zhang , Y. P. , Claycamp , H. G. , Macina , O. T. , Sussman , N. B. , Grant , S. G. and Klopman , G. 1999 . Development, characterization and application of predictive-toxicology models . SAR QSAR Environ. Res. , 10 : 277 – 298 .
   PubMed Web of Science ®Google Scholar
• Balls , M. , Blaauboer , B. , Brusick , D. , Frazier , J. , Lamb , D. , Pemberton , M. , Reinhardt , C. , Roberfroid , M. , Rosenkranz , H. , Schmid , B. , Speilmann , H. , Stammati , A.-L. and Walum , E. 1990 . Report and Recommendations of the CAAT/ERGATT Workshop on the Validation of Toxicity Test Procedures . ATLA , 18 : 313 – 337 .
   Google Scholar
• Klopman , G. 1984 . Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules . J. Amer. Chem. Soc. , 106 : 7315 – 7321 .
   Web of Science ®Google Scholar
• Klopman , G. 1992 . MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program . Quant. Struct. Act. Rel. , 11 : 176 – 184 .
   Web of Science ®Google Scholar
• Klopman , G. and Rosenkranz , H. S. 1994 . Prediction of carcinogenicity/mutagenicity using MULTICASE . Mutation Res. , 305 : 33 – 46 .
   PubMed Web of Science ®Google Scholar
• Klopman , G. and Rosenkranz , H. S. 1995 . Toxicity estimation by chemical substructure analysis: The Tox II program . Toxicol. Letters , 79 : 145 – 155 .
   PubMedGoogle Scholar
• Liu , M. , Sussman , N. , Klopman , G. and Rosenkranz , H. S. 1996 . Estimation of the optimal data base size for structure-activity analyses: The Salmonella mutagenicity data base . Mutation Res. , 358 : 63 – 72 .
   PubMed Web of Science ®Google Scholar
• Takihi , N. , Zhang , Y. P. , Klopman , G. and Rosenkranz , H. S. 1933 . An approach for evaluating and increasing the informational content of mutagenicity and clastogenicity data bases . Mutagenesis , 8 : 257 – 264 .
   Google Scholar
• Takihi , N. , Zhang , Y. P. , Klopman , G. and Rosenkranz , H. S. 1993 . Development of a method to assess the informational content of structure-activity data bases . Quality Assurance: Good Practice, Regulation, and Law , 2 : 255 – 264 .
   PubMedGoogle Scholar
• Chankong , V. , Haimes , Y. Y. , Rosenkranz , H. S. and Pet-Edwards , J. 1985 . The Carcinogenicity Prediction and Battery Selection (CPBS) method: A Bayesian approach . Mutation Res. , 153 : 135 – 166 .
   PubMedGoogle Scholar
• Zhang , Y. P. , Sussman , N. , Macina , O. T. , Rosenkranz , H. S. and Klopman , G. 1996 . Prediction of the carcinogenicity of a second group of chemicals undergoing carcinogenicity testing . Environ. Hlth. Perspect. , 104 : 1045 – 1050 .
   PubMed Web of Science ®Google Scholar
• Macina , O. T. , Zhang , Y. P. and Rosenkranz , H. S. 1998 . “ Improved predictivity of carcinogens: The use of a battery of SAR Models. ” . In Testing, Predicting and Interpreting Carcinogenicity , Edited by: Kitchin , K. T. 227 – 250 . New York : Marcel Dekker .
   Google Scholar
• Dunkel , V. C. , Zeiger , E. , Brusick , D. , McCoy , E. C. , McGregor , D. , Mortelmans , K. , Rosenkranz , H. S. and Simmon , V. F. 1984 . Reproducibility of microbial mutagenicity assays: I. Tests with Salmonella typhimurium and Escherichia coli using standardized protocol. . Environ. Mutagen. , 6 : 1 – 254 . Suppl. 2
   PubMedGoogle Scholar
• Dunkel , V. C. , Zeiger , E. , Brusick , D. , McCoy , E. , McGregor , D. , Mortelmans , K. , Rosenkranz , H. S. and Simmon , V. F. 1985 . Reproducibility of microbial mutagenicity assays: II. Testing of carcinogens and noncarcinogens in Salmonella typhimurhan . Escherichia coli. Environ. Mutagen. , 7 : 1 – 248 . Suppl. 5
   PubMedGoogle Scholar
• Mortelmans , K. , Haworth , S. , Lawlor , T. , Speck , W. T. , Tainer , B. and Zeiger , E. 1986 . Salmonella mutagenicity tests: II. Results from the testing of 270 chemicals . Environ. Mutagen. , 8 : 1 – 119 .
   PubMedGoogle Scholar
• Zeiger , E. 1987 . Carcinogenicity of mutagens: Predictive capability of the Salmonella mutagenesis assay for rodent carcinogenicity . Cancer Res. , 47 : 1287 – 1296 .
   PubMed Web of Science ®Google Scholar
• Zeiger , E. , Anderson , B. , Haworth , S. , Lawlor , T. , Mortelmans , K. and Speck , W. 1987 . Salmonella Mutagenicity tests: III. Results from 255 chemicals. . Environ. Mutagen. , 9 : 1 – 109 . Suppl. 9
   PubMedGoogle Scholar
• Zeiger , E. , Anderson , B. , Haworth , S. , Lawlor , T. and Mortelmans , K. 1988 . Salmonella Mutagenicity tests: IV. Results from the testing of 300 chemicals. . Environ. Molec. Mutagen. , 11 : 1 – 157 . Suppl. 12
   PubMed Web of Science ®Google Scholar
• Liu , M. , Sussman , N. , Klopman , G. and Rosenkranz , H. S. 1996 . Structure-activity and mechanistic relationships: The effects of chemical overlap on structural overlap in data bases of varying size and composition . Mutation Res. , 372 : 79 – 85 .
   Google Scholar