ECounterscreening: Using QSAR predictions to prioritize testing for off-target activities and setting the balance between benefit and risk

Journal of Chemical Information and Modeling

Volumn 55, Issue 2, 2015, Pages 231-238

  Sheridan, Robert P ^a   McMasters, Daniel R ^a   Voigt, Johannes H ^a   Wildey, Mary Jo ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; MOLECULAR GRAPHICS; PREDICTIVE ANALYTICS;

DRUG DEVELOPMENT; QSAR MODEL; RISK BENEFITS; TARGET ACTIVITY;

COMPUTATIONAL CHEMISTRY;

ADVERSE DRUG REACTION; ALGORITHM; CHEMICAL MODEL; DATA MINING; DRUG DEVELOPMENT; FACTUAL DATABASE; HIGH THROUGHPUT SCREENING; PREDICTIVE VALUE; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RISK ASSESSMENT;

ALGORITHMS; DATA MINING; DATABASES, FACTUAL; DRUG DISCOVERY; DRUG-RELATED SIDE EFFECTS AND ADVERSE REACTIONS; HIGH-THROUGHPUT SCREENING ASSAYS; MODELS, CHEMICAL; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RISK ASSESSMENT;

EID: 84923372542     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500666m     Document Type: Article

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