SFCscoreRF: A random forest-based scoring function for improved affinity prediction of protein-ligand complexes

Journal of Chemical Information and Modeling

Volumn 53, Issue 8, 2013, Pages 1923-1933

  Zilian, David ^a   Sotriffer, Christoph A ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; BINDING ENERGY; COMPLEXATION; DECISION TREES; LIGANDS; PROTEINS; REGRESSION ANALYSIS;

BINDING AFFINITIES; CROSS VALIDATION; DESCRIPTORS; DIVERSE DATA SETS; PROTEIN-LIGAND COMPLEXES; REGRESSION METHOD; SCORING FUNCTIONS; TRAINING SETS;

RANDOM FORESTS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; ARTICLE; CHEMISTRY; CLUSTER ANALYSIS; DRUG DATABASE; METABOLISM; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN CONFORMATION; REPRODUCIBILITY;

ALGORITHMS; CLUSTER ANALYSIS; DATABASES, PHARMACEUTICAL; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS;

EID: 84883250593     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400120b     Document Type: Article

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