Target specific compound identification using a support vector machine

Combinatorial Chemistry and High Throughput Screening

Volumn 10, Issue 3, 2007, Pages 189-196

  Plewczynski, Dariusz ^a,b   Von Grotthuss, Marcin ^a   Spieser, Stephane A H ^c   Rychewski, Leszek ^a   Wyrwicz, Lucjan S ^a   Ginalski, Krzysztof ^b   Koch, Uwe ^c,d  

^a BIOINFOBANK INSTITUTE   (Poland)

^b UNIVERSITY OF WARSAW   (Poland)

^c IRBM   (Italy)

^d MERCK RESEARCH LABORATORIES   (United States)

Author keywords

Atom pairs; Compound identification; Machine learning methods; Mdl drug data report; Protein target specificity; Support vector machine

Indexed keywords

ANTIESTROGEN; CYCLOOXYGENASE 2; DIHYDROFOLATE REDUCTASE; RNA DIRECTED DNA POLYMERASE; THROMBIN;

ACCURACY; ARTICLE; ATOM; BIOLOGICAL ACTIVITY; CHEMICAL ANALYSIS; DATA BASE; FALSE POSITIVE RESULT; FOLLOW UP; HIGH THROUGHPUT SCREENING; INFORMATION PROCESSING; PRIORITY JOURNAL; PROTEIN TARGETING; SENSITIVITY ANALYSIS; SUPPORT VECTOR MACHINE;

ARTIFICIAL INTELLIGENCE; DRUG DELIVERY SYSTEMS; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HUMANS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, CELL SURFACE;

EID: 33947255489     PISSN: 13862073     EISSN: None     Source Type: Journal    
DOI: 10.2174/138620707780126705     Document Type: Article

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