Analysis and use of fragment-occurrence data in similarity-based virtual screening

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 9, 2009, Pages 655-668

  Arif, Shereena M ^a   Holliday, John D ^a   Willett, Peter ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Fingerprint; Fragment occurrences; Ligand based virtual screening; Similarity searching; Substructural fragment; Tanimoto coefficient; Virtual screening; Weighting scheme

Indexed keywords

FINGERPRINT; FRAGMENT OCCURRENCE; LIGAND-BASED VIRTUAL SCREENING; SIMILARITY MEASURE; SIMILARITY SEARCHING; SUB-STRUCTURAL FRAGMENT; TANIMOTO COEFFICIENT; VIRTUAL SCREENING; WEIGHTING SCHEME;

MOLECULES;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; DATA BASE; FINGER DERMATOGLYPHICS; LIGAND BINDING; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE; SIMILARITY BASED VIRTUAL SCREENING; STRUCTURE ANALYSIS;

EID: 69249211345     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9285-0     Document Type: Article

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