New methods for ligand-based virtual screening: Use of data fusion and machine learning to enhance the effectiveness of similarity searching

Journal of Chemical Information and Modeling

Volumn 46, Issue 2, 2006, Pages 462-470

  Hert, Jérôme ^a   Willett, Peter ^a   Wilton, David J ^a   Acklin, Pierre ^b   Azzaoui, Kamal ^b   Jacoby, Edgar ^b   Schuffenhauer, Ansgar ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DATABASE SYSTEMS; ONLINE SEARCHING; SCAFFOLDS; STRUCTURE (COMPOSITION);

ACTIVE MOLECULES; BINARY KERNEL DISCRIMINATION; SIMILARITY SEARCHING; SINGLE BIOACTIVE REFERENCE STRUCTURE;

LEARNING SYSTEMS;

LIGAND;

ARTICLE; ARTIFICIAL INTELLIGENCE; ARTIFICIAL NEURAL NETWORK; BIOLOGY; COMPUTER SIMULATION; DRUG SCREENING; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

ARTIFICIAL INTELLIGENCE; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DRUG EVALUATION, PRECLINICAL; LIGANDS; NEURAL NETWORKS (COMPUTER); STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33646249968     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050348j     Document Type: Conference Paper

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