In silico prediction of chemical acute oral toxicity using multi-classification methods

Journal of Chemical Information and Modeling

Volumn 54, Issue 4, 2014, Pages 1061-1069

  Li, Xiao ^a,b   Chen, Lei ^a   Cheng, Feixiong ^a   Wu, Zengrui ^a   Bian, Hanping ^a   Xu, Congying ^a   Li, Weihua ^a   Liu, Guixia ^a   Shen, Xu ^b   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

BARIUM COMPOUNDS; BINARY TREES; DECISION TREES; ENVIRONMENTAL PROTECTION AGENCY; NEAREST NEIGHBOR SEARCH; RISK ASSESSMENT; SUPPORT VECTOR MACHINES; TOXICITY;

C4.5 DECISION TREES; ENVIRONMENTAL RISK ASSESSMENT; FREQUENCY ANALYSIS; MACHINE LEARNING METHODS; MULTI-CLASSIFICATION; OVERALL ACCURACIES; PREDICTIVE ACCURACY; U.S. ENVIRONMENTAL PROTECTION AGENCY;

LEARNING SYSTEMS;

BAYES THEOREM; COMPUTER SIMULATION; ORAL DRUG ADMINISTRATION; SUPPORT VECTOR MACHINE; THEORETICAL MODEL; TOXICITY TESTING;

ADMINISTRATION, ORAL; BAYES THEOREM; COMPUTER SIMULATION; MODELS, THEORETICAL; SUPPORT VECTOR MACHINES; TOXICITY TESTS, ACUTE;

EID: 84899804542     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5000467     Document Type: Article

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