Heterogeneous classifier fusion for ligand-based virtual screening: Or, how decision making by committee can be a good thing

Journal of Chemical Information and Modeling

Volumn 53, Issue 11, 2013, Pages 2829-2836

  Riniker, Sereina ^a   Fechner, Nikolas ^a   Landrum, Gregory A ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DATA FUSION; DECISION MAKING; DECISION TREES; LOGISTIC REGRESSION; PREDICTIVE ANALYTICS;

ACTIVE MOLECULES; BENCHMARKING PLATFORMS; CLASSIFIER FUSION; HETEROGENEOUS CLASSIFIERS; MODELING TYPE; SIMILARITY SEARCH; SOURCE CODES; VIRTUAL SCREENING;

LIGANDS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; BAYES THEOREM; CHEMICAL DATABASE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DATA MINING; DECISION MAKING; DRUG ANTAGONISM; DRUG POTENTIATION; HIGH THROUGHPUT SCREENING; QUALITY CONTROL; STATISTICAL MODEL; STATISTICS;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; BAYES THEOREM; BENCHMARKING; DATA MINING; DATABASES, CHEMICAL; DECISION MAKING; HIGH-THROUGHPUT SCREENING ASSAYS; LIGANDS; LOGISTIC MODELS; MODELS, MOLECULAR; PROTEINS; USER-COMPUTER INTERFACE;

EID: 84888627544     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400466r     Document Type: Article

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