Bayesian model averaging for ligand discovery

Journal of Chemical Information and Modeling

Volumn 49, Issue 6, 2009, Pages 1547-1557

  Angelopoulos, Nicos ^a   Hadjiprocopis, Andreas ^b   Walkinshaw, Malcolm D ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b HIGHER TECHNICAL INSTITUTE   (Cyprus)

Author keywords

[No Author keywords available]

Indexed keywords

BAYESIAN NETWORKS; BINDING ENERGY; BIOACTIVITY; CLASSIFICATION (OF INFORMATION); LIGANDS; MARKOV CHAINS; MOLECULES; MONTE CARLO METHODS; STATISTICAL TESTS; SUPPORT VECTOR MACHINES;

BAYESIAN MODEL AVERAGING; BIOLOGICALLY ACTIVE COMPOUNDS; CLASSIFICATION TREES; HIGH-THROUGHPUT SCREENING; MARKOV CHAIN MONTE CARLO SIMULATION; MOLECULAR PROPERTIES; PHARMACEUTICAL INDUSTRY; PHARMACEUTICAL RESEARCH;

TREES (MATHEMATICS);

LIGAND; PYRUVATE KINASE;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; BAYES THEOREM; DRUG ANTAGONISM; DRUG DEVELOPMENT; ENZYMOLOGY; GEOBACILLUS STEAROTHERMOPHILUS; METHODOLOGY; MONTE CARLO METHOD; PROBABILITY; REPRODUCIBILITY;

ALGORITHMS; BACILLUS STEAROTHERMOPHILUS; BAYES THEOREM; DRUG DISCOVERY; LIGANDS; MARKOV CHAINS; MONTE CARLO METHOD; NEURAL NETWORKS (COMPUTER); PYRUVATE KINASE; REPRODUCIBILITY OF RESULTS;

EID: 67650085842     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900046u     Document Type: Article

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