Predicting the accuracy of ligand overlay methods with random forest models

Journal of Chemical Information and Modeling

Volumn 48, Issue 12, 2008, Pages 2386-2394

  Nandigam, Ravi K ^a   Evans, David A ^b   Erickson, Jon A ^b   Kim, Sangtae ^a   Sutherland, Jeffrey J ^b  

^a PURDUE UNIVERSITY   (United States)

^b ELI LILLY AND COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DECISION TREES; PROTEINS; RANDOM FORESTS; X RAYS;

ALGORITHM SELECTION; BINDING MODES; DECISION TREE MODELING; GENE FAMILIES; OVERLAY ACCURACY; PROTEIN SEQUENCES; PROTEIN STRUCTURES; X-RAY STRUCTURE;

LIGANDS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG DESIGN; DRUG DEVELOPMENT; METABOLISM; PROTEIN DATABASE; STATISTICS;

ALGORITHMS; COMPUTER SIMULATION; DATABASES, PROTEIN; DRUG DESIGN; DRUG DISCOVERY; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEINS; SOFTWARE;

EID: 58149131535     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800216f     Document Type: Article

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