RelACCS-FP: A structural minimalist approach to fingerprint design

Chemical Biology and Drug Design

Volumn 72, Issue 5, 2008, Pages 341-349

  Hu, Ye ^a   Lounkine, Eugen ^a   Batista, José ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Chemoinformatics; Compound class specific descriptors; Fingerprint design; Fragment frequency; Randomly generated fragments; Similarity coefficients; Similarity searching

Indexed keywords

BLOOD CLOTTING FACTOR 7A INHIBITOR; BRADYKININ ANTAGONIST; CALPASTATIN; CELL ADHESION MOLECULE; CYSTEINE PROTEINASE INHIBITOR; DOPAMINE 1 RECEPTOR STIMULATING AGENT; ENZYME INHIBITOR; FIBRINOGEN RECEPTOR ANTAGONIST; MELATONIN; PROTEIN INHIBITOR; SQUALENE MONOOXYGENASE; SQUALENE SYNTHASE INHIBITOR; XANTHINE OXIDASE INHIBITOR;

ARTICLE; CORRELATION COEFFICIENT; DATA BASE; GENE DELETION; GENE FREQUENCY; MEDICAL INFORMATION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; MODELS, CHEMICAL; ORGANIC CHEMICALS; PROBABILITY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 54249159585     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00723.x     Document Type: Article

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