Compound analysis via graph kernels incorporating chirality

Journal of Bioinformatics and Computational Biology

Volumn 8, Issue SUPPL. 1, 2010, Pages 63-81

  Brown, J B ^a   Urata, Takashi ^a   Tamura, Takeyuki ^a   Arai, Midori A ^b   Kawabata, Takeo ^a   Akutsu, Tatsuya ^a  

^a KYOTO UNIVERSITY   (Japan)

^b CHIBA UNIVERSITY   (Japan)

Author keywords

graph kernel; Kernel method; QSAR; QSPR; support vector machine

Indexed keywords

ANTINEOPLASTIC AGENT; CALCITRIOL RECEPTOR; DRUG DERIVATIVE; ECDYSTERONE; LIGAND; STEROID; VITAMIN D;

ALGORITHM; ANIMAL; ARTICLE; ARTIFICIAL INTELLIGENCE; BIOLOGY; CHEMISTRY; COMPARATIVE STUDY; DRUG DESIGN; DRUG POTENTIATION; FACTUAL DATABASE; HUMAN; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOISOMERISM;

ALGORITHMS; ANIMALS; ANTINEOPLASTIC AGENTS; ARTIFICIAL INTELLIGENCE; COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; DRUG DESIGN; ECDYSTERONE; HUMANS; LIGANDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, CALCITRIOL; STEREOISOMERISM; STEROIDS; VITAMIN D;

EID: 78650012456     PISSN: 02197200     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219720010005117     Document Type: Article

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