In silico prediction of chemical ames mutagenicity

Journal of Chemical Information and Modeling

Volumn 52, Issue 11, 2012, Pages 2840-2847

  Xu, Congying ^a   Cheng, Feixiong ^a   Chen, Lei ^a   Du, Zheng ^a   Li, Weihua ^a   Liu, Guixia ^a,b   Lee, Philip W ^a   Tang, Yun ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DECISION TREES; FORECASTING; LEARNING SYSTEMS; MUTAGENESIS; MUTAGENS; NEAREST NEIGHBOR SEARCH; SUPPORT VECTOR MACHINES; TREES (MATHEMATICS);

C4.5 DECISION TREES; EXPERIMENTAL TEST; INFORMATION GAIN; K NEAREST NEIGHBOR (KNN); MACHINE LEARNING METHODS; PREDICTIVE ACCURACY; PREDICTIVE MODELS; SUBSTRUCTURE ANALYSIS;

PREDICTIVE ANALYTICS;

MUTAGENIC AGENT;

ANIMAL; ARTICLE; ARTIFICIAL NEURAL NETWORK; BAYES THEOREM; CHEMICAL DATABASE; CHEMISTRY; COMPUTER SIMULATION; DECISION TREE; HUMAN; METHODOLOGY; MUTAGEN TESTING; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; STATISTICS; SUPPORT VECTOR MACHINE;

ANIMALS; BAYES THEOREM; COMPUTER SIMULATION; DATABASES, CHEMICAL; DECISION TREES; HUMANS; MUTAGENICITY TESTS; MUTAGENS; NEURAL NETWORKS (COMPUTER); PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; SUPPORT VECTOR MACHINES;

EID: 84869996743     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300400a     Document Type: Article

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