Similarity-based virtual screening using Bayesian inference network: Enhanced search using 2D fingerprints and multiple reference structures

QSAR and Combinatorial Science

Volumn 28, Issue 6-7, 2009, Pages 654-663

  Abdo, Ammar ^a   Salim, Noamie ^a  

^a UNIVERSITI TEKNOLOGI MALAYSIA   (Malaysia)

Author keywords

Bayesian inference network; Drug discovery; Inference network; Multiple reference structures; Similarity searching; Virtual screening

Indexed keywords

BAYESIAN NETWORKS; INFERENCE ENGINES; NEAREST NEIGHBOR SEARCH;

BAYESIAN INFERENCE NETWORKS; CONVENTIONAL APPROACH; DESCRIPTORS; DRUG DISCOVERY; INFERENCE NETWORK; MULTIPLE REFERENCE STRUCTURE; MULTIPLE REFERENCES; NET MODEL; SIMILARITY SEARCHING; VIRTUAL SCREENING;

DATA FUSION;

ANGIOTENSIN RECEPTOR ANTAGONIST; DOPAMINE 2 RECEPTOR BLOCKING AGENT; HYDROXYMETHYLGLUTARYL COENZYME A REDUCTASE INHIBITOR; PROSTAGLANDIN SYNTHASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; PROTEINASE INHIBITOR; RENIN INHIBITOR; SEROTONIN 1A ANTAGONIST; SEROTONIN 3 ANTAGONIST; SUBSTANCE P ANTAGONIST; THROMBIN INHIBITOR;

ARTICLE; BAYES THEOREM; CONTROLLED STUDY; DRUG SCREENING; DRUG STRUCTURE; INFERENTIAL STATISTICS; INFORMATION PROCESSING; INTERMETHOD COMPARISON; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; STRUCTURAL HOMOLOGY;

EID: 67949095941     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200860155     Document Type: Article

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