Status of HTS data mining approaches

QSAR and Combinatorial Science

Volumn 23, Issue 4, 2004, Pages 207-213

  Böcker, Alexander ^a,b   Schneider, Gisbert ^b   Teckentrup, Andreas ^a  

^a BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

^b GOETHE UNIVERSITY   (Germany)

Author keywords

Classification; Feature extraction; Library design; Machine leaning; Molecular Descriptor; Similarity; Virtual screening

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; DESIGN; DIGITAL LIBRARIES; FEATURE EXTRACTION; LEARNING SYSTEMS; MOLECULAR GRAPHICS;

COMPOUND COLLECTIONS; COMPUTATIONAL TECHNIQUE; FEATURES EXTRACTION; HIGH THROUGHPUT SCREENING; LIBRARY DESIGNS; MACHINE LEANING; MOLECULAR DESCRIPTORS; QSAR MODEL; SIMILARITY; VIRTUAL SCREENING;

DATA MINING;

ARTIFICIAL INTELLIGENCE; CLASSIFICATION; DATA ANALYSIS; HIGH THROUGHPUT SCREENING; MACHINE; MACHINE LEARNING; MATHEMATICAL MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW;

EID: 8544270909     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200330860     Document Type: Review

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