Design of multitarget activity landscapes that capture hierarchical activity cliff distributions

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 258-266

  Dimova, Dilyana ^a   Wawer, Mathias ^a   Wassermann, Anne Mai ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; LANDFORMS;

CLASSIFICATION SCHEME; COMPLEX ACTIVITY; GRAPH REPRESENTATION; GRAPHICAL REPRESENTATIONS; LANDSCAPE DESIGN; MOLECULAR SIMILARITY; MULTIPLE TARGETS; STRUCTURE ACTIVITY RELATIONSHIPS;

STRUCTURAL DESIGN;

ARTICLE; COMPUTER GRAPHICS; DATA MINING; DRUG DEVELOPMENT; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

COMPUTER GRAPHICS; DATA MINING; DRUG DISCOVERY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79952176447     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100477m     Document Type: Article

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