Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects

ChemMedChem

Volumn 5, Issue 6, 2010, Pages 859-868

  Nisius, Britta ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Balanced codes; Fingerprint bit density; Molecular complexity; Similarity searching; Virtual screening

Indexed keywords

LEUKOTRIENE RECEPTOR BLOCKING AGENT; PHOSPHOLIPASE A2 INHIBITOR; PROSTAGLANDIN SYNTHASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; CHEMICAL MODIFICATION; DATA BASE; DRUG SCREENING; DRUG STRUCTURE; MOLECULAR SIZE; PHARMACOPHORE; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR STRUCTURE; ORGANIC CHEMICALS;

EID: 77953106422     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201000089     Document Type: Article

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