ESP: A method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databases

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 2, 2004, Pages 704-715

  Klopman, Gilles ^a,b   Chakravarti, Suman K ^a   Zhu, Hao ^a   Ivanov, Julian M ^b   Saiakhov, Roustem D ^b  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

^b MULTICASE Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; DATABASE SYSTEMS; GENETIC ALGORITHMS; NEURAL NETWORKS; ORGANIC CHEMICALS; STRUCTURE (COMPOSITION); TOXICITY;

BIOPHORES; CARCINOGENICITY; EXPERT SYSTEM PREDICTION; PHARMACOLOGICAL PROPERTIES;

EXPERT SYSTEMS;

CARCINOGEN; HYDRAZINE DERIVATIVE; NITROSAMIDES; NITROSAMINE; NITROSO DERIVATIVE;

ALGORITHM; ANIMAL; ARTICLE; CHEMISTRY; COMPUTER PROGRAM; EXPERT SYSTEM; FEMALE; GENETIC DATABASE; MALE; MOUSE; PHARMACOLOGY; PREDICTION AND FORECASTING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; RODENT; TOXICITY TESTING;

ALGORITHMS; ANIMALS; CARCINOGENS; DATABASES, GENETIC; EXPERT SYSTEMS; FEMALE; HYDRAZINES; MALE; MICE; NITROSAMINES; NITROSO COMPOUNDS; PHARMACOLOGY; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RODENTIA; SOFTWARE; TOXICITY TESTS;

EID: 1842639169     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci030298n     Document Type: Article

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