Recent progress in understanding activity cliffs and their utility in medicinal chemistry

Journal of Medicinal Chemistry

Volumn 57, Issue 1, 2014, Pages 18-28

  Stumpfe, Dagmar ^a   Hu, Ye ^a   Dimova, Dilyana ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVITY CLIFF; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CHEMISTRY; CHIRALITY; DATA MINING; DRUG POTENCY; MACHINE LEARNING; MEDICINAL CHEMISTRY; MOLECULAR DYNAMICS; PHARMACOLOGICAL PARAMETERS;

CHEMISTRY, PHARMACEUTICAL; MODELS, MOLECULAR; PROBABILITY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84892612846     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm401120g     Document Type: Article

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