Exploring uncharted territories: Predicting activity Cliffs in structure-activity landscapes

Journal of Chemical Information and Modeling

Volumn 52, Issue 8, 2012, Pages 2181-2191

  Guha, Rajarshi ^a  

^a NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; DECISION TREES; FORECASTING; MOLECULES;

DATA SET; INDIVIDUAL OBJECTS; MOLECULAR DESCRIPTORS; PAIR-WISE COMBINATIONS; ROBUST MODELS; STRUCTURAL FEATURE; STRUCTURE ACTIVITY; STRUCTURE ACTIVITY RELATIONSHIPS;

LANDFORMS;

ARTICLE; DRUG DESIGN; HUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY;

DRUG DESIGN; HUMANS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 84865493482     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300047k     Document Type: Article

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