Advances in 2D fingerprint similarity searching

Expert Opinion on Drug Discovery

Volumn 5, Issue 6, 2010, Pages 529-542

  Geppert, Hanna ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Bit representations; Fingerprint design; Fingerprint reduction and recombination; Fingerprints; Hit identification; Molecular complexity and size effects; Molecular similarity; Similarity measures; Similarity searching

Indexed keywords

CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONFORMATION; DRUG RESEARCH; DRUG SCREENING; HUMAN; INFORMATION SCIENCE; MACHINE LEARNING; MATHEMATICAL ANALYSIS; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STRUCTURAL HOMOLOGY; SUPPORT VECTOR MACHINE; THREE DIMENSIONAL IMAGING;

EID: 77952839641     PISSN: 17460441     EISSN: None     Source Type: Journal    
DOI: 10.1517/17460441.2010.486830     Document Type: Review

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