Emerging chemical patterns: A new methodology for molecular classification and compound selection

Journal of Chemical Information and Modeling

Volumn 46, Issue 6, 2006, Pages 2502-2514

  Auer, Jens ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; INFORMATION ANALYSIS; ITERATIVE METHODS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; OPTIMIZATION;

CHEMICAL PATTERNS; COMPOUND SELECTION; EMERGING CHEMICAL PATTERNS (ECP); MOLECULAR CLASSIFICATION;

MOLECULAR DYNAMICS;

DRUG;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; CLASSIFICATION; COMBINATORIAL CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; DRUG SCREENING; ENTROPY; IC 50; METHODOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THEORETICAL MODEL;

ALGORITHMS; CHEMISTRY; CHEMISTRY, PHARMACEUTICAL; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENTROPY; INHIBITORY CONCENTRATION 50; MODELS, CHEMICAL; MODELS, THEORETICAL; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33845740308     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600301t     Document Type: Article

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