Ligand expansion in ligand-based virtual screening using relevance feedback

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 3, 2012, Pages 279-287

  Abdo, Ammar ^a,b   Saeed, Faisal ^a   Hamza, Hentabli ^a   Ahmed, Ali ^a   Salim, Naomie ^a  

^a UNIVERSITI TEKNOLOGI MALAYSIA   (Malaysia)

^b HODEIDAH UNIVERSITY   (Yemen)

Author keywords

Bayesian inference network; Drug discovery; Ligand expansion; Nearest neighbours; Similarity searching; Virtual screening

Indexed keywords

BAYESIAN NETWORKS; EXPANSION; INFERENCE ENGINES; INFORMATION RETRIEVAL; INFORMATION RETRIEVAL SYSTEMS; MOLECULES; SEARCH ENGINES;

BAYESIAN INFERENCE NETWORKS; DRUG DISCOVERY; INFORMATION-RETRIEVAL SYSTEMS; LIGAND EXPANSION; LIGAND MOLECULES; NEAREST-NEIGHBOUR; QUERY EXPANSION; RELEVANCE FEEDBACK; SIMILARITY SEARCHING; VIRTUAL SCREENING;

LIGANDS;

ADENOSINE A1 RECEPTOR AGONIST; ADENOSINE A2 RECEPTOR AGONIST; ALDOSE REDUCTASE INHIBITOR; AROMATASE INHIBITOR; BETA LACTAM ANTIBIOTIC; CARBACEPHEM DERIVATIVE; CARBAPENEM DERIVATIVE; CEPHALOSPORIN; DOPAMINE BETA HYDROXYLASE INHIBITOR; ENZYME INHIBITOR; LIPOXYGENASE INHIBITOR; MACROLIDE; MUSCARINIC M1 RECEPTOR AGONIST; N METHYL DEXTRO ASPARTIC ACID RECEPTOR BLOCKING AGENT; PHOSPHOLIPASE A2 INHIBITOR; PROSTAGLANDIN SYNTHASE INHIBITOR; RENIN INHIBITOR; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG; VITAMIN D DERIVATIVE;

ARTICLE; BAYESIAN LEARNING; BIOINFORMATICS; DATA ANALYSIS; DRUG RESEARCH; DRUG SCREENING; FEEDBACK SYSTEM; LIGAND BINDING; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; VALIDATION STUDY; VIRTUAL REALITY;

EID: 84863083740     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9543-4     Document Type: Article

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