Estimation of ADME properties with substructure pattern recognition

Journal of Chemical Information and Modeling

Volumn 50, Issue 6, 2010, Pages 1034-1041

  Shen, Jie ^a   Cheng, Feixiong ^a   Xu, You ^a   Li, Weihua ^a   Tang, Yun ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; PREDICTIVE ANALYTICS; SUPPORT VECTOR MACHINES;

CLASSIFICATION METHODS; FUNCTIONAL RELATIONSHIP; HUMAN INTESTINAL ABSORPTIONS; MOLECULAR DESCRIPTORS; MOLECULAR PROPERTIES; PENETRATION PROPERTY; SUBSTRUCTURE PATTERNS; SUPPORT VECTOR MACHINE ALGORITHM;

PATTERN RECOGNITION;

DRUG;

ARTICLE; ARTIFICIAL INTELLIGENCE; AUTOMATED PATTERN RECOGNITION; BIOLOGY; BLOOD BRAIN BARRIER; DRUG DEVELOPMENT; HUMAN; INTESTINE ABSORPTION; METABOLISM; METHODOLOGY; REPRODUCIBILITY;

ARTIFICIAL INTELLIGENCE; BLOOD-BRAIN BARRIER; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; INTESTINAL ABSORPTION; PATTERN RECOGNITION, AUTOMATED; PHARMACEUTICAL PREPARATIONS; REPRODUCIBILITY OF RESULTS;

EID: 77954068708     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100104j     Document Type: Article

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