Kernel approach to molecular similarity based on iterative graph similarity

Journal of Chemical Information and Modeling

Volumn 47, Issue 6, 2007, Pages 2280-2286

  Rupp, Matthias ^a   Proschak, Ewgenij ^a   Schneider, Gisbert ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; GRAPH THEORY; ITERATIVE METHODS; PARAMETERIZATION; SUPPORT VECTOR MACHINES;

ITERATIVE GRAPH; MOLECULAR SIMILARITY; TOXICOLOGICAL DATA;

MOLECULAR DYNAMICS;

DRUG;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; COMPUTER PROGRAM;

COMPUTATIONAL BIOLOGY; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; SOFTWARE;

EID: 37249009571     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700274r     Document Type: Article

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