Searching for target-selective compounds using different combinations of multiclass support vector machine ranking methods, kernel functions, and fingerprint descriptors

Journal of Chemical Information and Modeling

Volumn 49, Issue 3, 2009, Pages 582-592

  Wassermann, Anne Mai ^a   Geppert, Hanna ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; SEARCH ENGINES;

CHEMICAL BIOLOGY; DATABASE SEARCHES; INACTIVE COMPOUNDS; KERNEL FUNCTION; MULTI-CLASS SUPPORT VECTOR MACHINES; MULTICLASS PREDICTION; SEARCH PERFORMANCE; SIMILARITY SEARCHING;

SUPPORT VECTOR MACHINES;

PROTEIN;

ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMISTRY; ENZYME SPECIFICITY;

COMPUTATIONAL BIOLOGY; MODELS, CHEMICAL; PROTEINS; SUBSTRATE SPECIFICITY;

EID: 65249163404     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800441c     Document Type: Article

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