ChemSpaceShuttle: A tool for data mining in drug discovery by classification, projection, and 3D visualization

QSAR and Combinatorial Science

Volumn 22, Issue 5, 2003, Pages 549-559

  Givehchi, Alireza ^a,d   Dietrich, Axel ^a,b   Wrede, Paul ^a,c   Schneider, Gisbert ^d  

^a CallistoGen AG   (Germany)

^b Genetics Company   (Switzerland)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

^d GOETHE UNIVERSITY   (Germany)

Author keywords

Drug discovery; Library design; Neural network; Principal component; Self organizing map

Indexed keywords

CLUSTERING ALGORITHMS; CONFORMAL MAPPING; DATA MINING; DATA VISUALIZATION; LEAST SQUARES APPROXIMATIONS; LIBRARIES; PRINCIPAL COMPONENT ANALYSIS; THREE DIMENSIONAL COMPUTER GRAPHICS; VECTOR SPACES; VISUALIZATION;

3D VISUALIZATION; COMPOUND LIBRARIES; DRUG DISCOVERY; GRAPHICAL INTERFACE; LIBRARY DESIGNS; NEURAL-NETWORKS; NON LINEAR; NONLINEAR PROJECTIONS; PRINCIPAL COMPONENTS; SELF-ORGANIZING-MAPS;

SELF ORGANIZING MAPS;

ALGORITHM; ARTICLE; COMBINATORIAL LIBRARY; COMPUTER INTERFACE; COMPUTER PROGRAM; DRUG CLASSIFICATION; INFORMATION PROCESSING; PRIORITY JOURNAL; VIRTUAL REALITY;

EID: 0043173785     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200310007     Document Type: Article

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