International Commission for Protection Against Environmental Mutagens and Carcinogens. Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using MULTI-CASE.
The assumptions and considerations underlying the use of structure-activity studies in the field of genotoxicity are discussed and reviewed. The MULTI-CASE program, recently introduced as a second generation CASE program is described and its special features highlighted. Some of the problems relevant to the use of structure-activity tools are also discussed. A list of these problems is as follows: Problems with non-congeneric data bases, Problems with expert systems, Problems with the size of the data bases, Problems with "structural alerts", Problems with QSAR, Problems with Metabolic transformations, and Problems with short-term assays.
Klopman
G
G
Chemistry Department, Case Western Reserve University, Cleveland, OH 44106.
Rosenkranz
H S
HS
D000818:Animals; D001711:Biotransformation; D015197:Carcinogenicity Tests; D002273:Carcinogens / Q000737:chemistry* / Q000633:toxicity*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D016009:Chi-Square Distribution; D003627:Data Interpretation, Statistical; D016208:Databases, Factual; D005103:Expert Systems; D005544:Forecasting / Q000379:methods; D006801:Humans; D015394:Molecular Structure; D009152:Mutagenicity Tests; D009153:Mutagens / Q000737:chemistry* / Q000633:toxicity*; D015203:Reproducibility of Results; D012377:Rodentia; D012984:Software; D013329:Structure-Activity Relationship
D002273:Carcinogens; D009153:Mutagens