Exploring polypharmacology using a ROCS-based target fishing approach

Journal of Chemical Information and Modeling

Volumn 52, Issue 2, 2012, Pages 492-505

  Abdulhameed, Mohamed Diwan M ^a   Chaudhury, Sidhartha ^a   Singh, Narender ^a   Sun, Hongmao ^a   Wallqvist, Anders ^a   Tawa, Gregory J ^a  

^a U S ARMY MEDICAL RESEARCH AND MATERIEL COMMAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS; MOLECULES; PROTEINS; QUERY PROCESSING;

ACTIVE COMPOUNDS; AREA UNDER THE CURVES; DRUG DISCOVERY; INDIVIDUAL PROTEINS; MULTIPLE TARGETS; PROTEIN TARGETS; RANDOM SELECTION; RECEIVER OPERATOR CHARACTERISTIC CURVES;

FISHERIES;

DRUG; LIGAND;

AREA UNDER THE CURVE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DEVELOPMENT; DRUG SCREENING; METHODOLOGY; PROTEIN DOMAIN; RECEIVER OPERATING CHARACTERISTIC;

AREA UNDER CURVE; COMPUTER SIMULATION; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PROTEIN INTERACTION DOMAINS AND MOTIFS; ROC CURVE;

EID: 84863399669     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2003544     Document Type: Conference Paper

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