Conditional probabilistic analysis for prediction of the activity landscape and relative compound activities

Journal of Chemical Information and Modeling

Volumn 53, Issue 10, 2013, Pages 2613-2625

  Santos, Radleigh G ^a   Giulianotti, Marc A ^a   Houghten, Richard A ^a   Medina Franco, José L ^a  

^a TORREY PINES INSTITUTE FOR MOLECULAR STUDIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ACTIVE COMPOUNDS; COMPARISON METHODS; MEDICINAL CHEMISTRY; MULTIPLE TARGETS; PROBABILISTIC ANALYSIS; STRUCTURE ACTIVITY RELATIONSHIPS; STRUCTURE PROPERTY RELATIONSHIPS; TARGET COMPOUND;

FORECASTING;

ANTIPROTOZOAL AGENT; LIGAND; NOCICEPTIN RECEPTOR; OPIATE RECEPTOR;

ALGORITHM; ARTICLE; CHEMICAL DATABASE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DEVELOPMENT; DRUG POTENTIATION; HUMAN; MOLECULAR LIBRARY; STATISTICAL MODEL; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANTIPROTOZOAL AGENTS; COMPUTER SIMULATION; DATABASES, CHEMICAL; DRUG DISCOVERY; HUMANS; LIGANDS; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR STRUCTURE; RECEPTORS, OPIOID; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84887050894     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400243e     Document Type: Article

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