MMP-cliffs: Systematic identification of activity cliffs on the basis of matched molecular pairs

Journal of Chemical Information and Modeling

Volumn 52, Issue 5, 2012, Pages 1138-1145

  Hu, Xiaoying ^a,b   Hu, Ye ^a   Vogt, Martin ^a   Stumpfe, Dagmar ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

^b BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

CRITICAL QUESTIONS; MEDICINAL CHEMISTRY; MOLECULAR PAIRS; MOLECULAR SIMILARITY; PUBLIC DOMAINS; STRUCTURAL DESCRIPTORS; STRUCTURE-ACTIVITY RELATIONSHIPS; SYSTEMATIC IDENTIFICATION;

LANDFORMS;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DELIVERY SYSTEM; FACTUAL DATABASE; STRUCTURE ACTIVITY RELATION;

CHEMISTRY, PHARMACEUTICAL; DATABASES, FACTUAL; DRUG DELIVERY SYSTEMS; MODELS, MOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84861503290     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3001138     Document Type: Article

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