Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds

Journal of Chemical Information and Modeling

Volumn 48, Issue 4, 2008, Pages 742-746

  Geppert, Hanna ^b   Horváth, Tamás ^a,b   Gärtner, Thomas ^a   Wrobel, Stefan ^a,b   Bajorath, Jürgen ^b  

^a FRAUNHOFER IAIS   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DATABASE SYSTEMS; MOLECULAR STRUCTURE;

FINGERPRINTS; SIMILARITY SEARCHING; VIRTUAL SCREENING;

SUPPORT VECTOR MACHINES;

EID: 44449107147     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700461s     Document Type: Article

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