Computational chemogenomics: Is it more than inductive transfer?

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 6, 2014, Pages 597-618

  Brown, J B ^a   Okuno, Yasushi ^a   Marcou, Gilles ^b   Varnek, Alexandre ^b   Horvath, Dragos ^b  

^a KYOTO UNIVERSITY GRADUATE SCHOOL OF MEDICINE   (Japan)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Chemogenomics; Inductive transfer; Machine learning; Proteochemometrics; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; DATA MINING; KNOWLEDGE MANAGEMENT; LEARNING SYSTEMS; LIGANDS; MOLECULAR GRAPHICS; MOLECULES;

CHEMOGENOMICS; DESCRIPTORS; EXPLICIT LEARNING; HIGH-THROUGHPUT ASSAYS; INDUCTIVE TRANSFER; KNOWLEDGE TRANSFER; MACHINE-LEARNING; MULTI-TARGETS; PROTEOCHEMOMETRIC; QSAR;

PROTEINS;

G PROTEIN COUPLED RECEPTOR; LIGAND; PROTEIN;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL PROCEDURES; CHEMOGENOMICS; GENE TRANSFER; GENETIC ALGORITHM; GENOMICS; LEARNING; MACHINE LEARNING; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURAL GENOMICS; SUPPORT VECTOR MACHINE; ANIMAL; BIOLOGY; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DEVELOPMENT; HIGH THROUGHPUT SCREENING; HUMAN; METABOLISM; PROCEDURES;

ANIMALS; COMPUTATIONAL BIOLOGY; COMPUTER-AIDED DESIGN; DRUG DISCOVERY; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; LIGANDS; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SUPPORT VECTOR MACHINES;

EID: 84902801801     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9743-1     Document Type: Article

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