Global quantitative structure-activity relationship models vs selected local models as predictors of off-target activities for project compounds

Journal of Chemical Information and Modeling

Volumn 54, Issue 4, 2014, Pages 1083-1092

  Sheridan, Robert P ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; STRUCTURES (BUILT OBJECTS);

DESCRIPTORS; GLOBAL MODELING; GLOBAL MODELS; PHARMACEUTICAL INDUSTRY; PREDICTIVITY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; TARGET ACTIVITY;

COMPUTATIONAL CHEMISTRY;

CALIBRATION; CHEMICAL MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CALIBRATION; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84899796522     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500084w     Document Type: Article

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