Graph mining for SAR transfer series

Journal of Chemical Information and Modeling

Volumn 52, Issue 4, 2012, Pages 935-942

  Gupta Ostermann, Disha ^a   Wawer, Mathias ^a,b   Wassermann, Anne Mai ^a   Bajorath, Jurgen ^a  

^a UNIVERSITY OF BONN   (Germany)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DATA COMMUNICATION SYSTEMS; GRAPH ALGORITHMS;

COMPUTATIONAL APPROACH; CORE STRUCTURE; GRAPH MINING; MEDICINAL CHEMISTRY; MOLECULAR NETWORKS; SCORING FUNCTIONS; SUBSTITUTION PATTERNS;

DATA MINING;

ANTITHROMBIN; MOLECULAR LIBRARY; PROTEIN BINDING; THROMBIN;

ALGORITHM; ANTAGONISTS AND INHIBITORS; CHEMICAL DATABASE; CHEMISTRY; DATA MINING; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; MEDICINAL CHEMISTRY; METHODOLOGY; MOLECULAR LIBRARY; STRUCTURE ACTIVITY RELATION; ARTICLE; DRUG ANTAGONISM; PROTEIN BINDING;

ALGORITHMS; ANTITHROMBINS; CHEMISTRY, PHARMACEUTICAL; DATA MINING; DATABASES, CHEMICAL; DRUG DESIGN; DRUG DISCOVERY; HUMANS; PROTEIN BINDING; RESEARCH DESIGN; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN;

EID: 84861998613     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300071y     Document Type: Article

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