Introducing the LASSO graph for compound data set representation and structure-activity relationship analysis

Journal of Medicinal Chemistry

Volumn 55, Issue 11, 2012, Pages 5546-5553

  Gupta Ostermann, Disha ^a   Hu, Ye ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BRADYKININ B1 RECEPTOR ANTAGONIST; MOLECULAR SCAFFOLD; NOCICEPTIN RECEPTOR ANTAGONIST; SEROTONIN ANTAGONIST;

ARTICLE; CONTROLLED STUDY; DRUG STRUCTURE; LASSO GRAPH; PLOTS AND CURVES; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

COMPUTER GRAPHICS; CYCLOHEXANES; DATA MINING; DRUG DESIGN; HETEROCYCLIC COMPOUNDS WITH 4 OR MORE RINGS; HETEROCYCLIC COMPOUNDS, 2-RING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, MELATONIN, MT1; RECEPTORS, OPIOID; RECEPTORS, SEROTONIN; SEROTONIN ANTAGONISTS;

EID: 84862272364     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm3004762     Document Type: Article

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