Structure-based drug screening and ligand-based drug screening with machine learning

Combinatorial Chemistry and High Throughput Screening

Volumn 12, Issue 4, 2009, Pages 397-408

  Fukunishi, Yoshifumi ^a,b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b Pharmaceutical Innovation Value Chain   (Japan)

Author keywords

Affinity fingerprint; Bayesian model; Decision tree; Machine learning; Neural network model; Self organizing map; Support vector machine; Virtual screening

Indexed keywords

CYCLOOXYGENASE 2 INHIBITOR; LIGAND;

ACCURACY; ARTICLE; DRUG SCREENING; DRUG STRUCTURE; ENERGY; HIGH THROUGHPUT SCREENING; MACHINE LEARNING; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE; VIRTUAL SCREENING;

ARTIFICIAL INTELLIGENCE; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; LIGANDS; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 66249104367     PISSN: 13862073     EISSN: None     Source Type: Journal    
DOI: 10.2174/138620709788167890     Document Type: Article

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