Chemoinformatics as a theoretical chemistry discipline

Molecular Informatics

Volumn 30, Issue 1, 2011, Pages 20-32

  Varnek, Alexandre ^a   Baskin, Igor I ^b  

^a UNIVERSITÉ LOUIS PASTEUR   (France)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Chemical space; Chemoinformatics; Computational learning theory; Similarity

Indexed keywords

COMPUTATION THEORY; LEARNING SYSTEMS; VECTOR SPACES;

BASIC APPLICATION; BASIC CONCEPTS; CHEMICAL SPACE; CHEMOINFORMATICS; COMPUTATIONAL LEARNING THEORY; FORCEFIELDS; INFERENCE MECHANISM; MOLECULAR REPRESENTATIONS; SIMILARITY; THEORETICAL CHEMISTRY;

QUANTUM CHEMISTRY;

BIOINFORMATICS; BIOLOGY; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHEMOMETRIC ANALYSIS; COMPUTER MODEL; INDEPENDENT COMPONENT ANALYSIS; MACHINE LEARNING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; REVIEW; STATISTICAL ANALYSIS; STRUCTURAL BIOINFORMATICS;

EID: 79954511288     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201000100     Document Type: Review

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