Automatic determination of reaction mappings and reaction center information. 2. Validation on a biochemical reaction database

Journal of Chemical Information and Modeling

Volumn 48, Issue 6, 2008, Pages 1190-1198

  Apostolakis, Joannis ^a   Sacher, Oliver ^b   Körner, Robert ^a   Gasteiger, Johann ^b,c  

^a UNIVERSITY OF MUNICH   (Germany)

^b Molecular Networks GmbH   (Germany)

^c UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DATABASE SYSTEMS; FORECASTING;

AUTOMATIC DETERMINATION; BIOCHEMICAL REACTIONS; COMPUTATIONAL PREDICTIONS; EXPERT KNOWLEDGE; LITERATURE STUDIES; REACTION CENTER; REACTION MECHANISM; TRANSITION STATE ENERGIES;

MAPPING;

ENZYME;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; FACTUAL DATABASE; METABOLISM; REPRODUCIBILITY;

ALGORITHMS; DATABASES, FACTUAL; ENZYMES; MODELS, CHEMICAL; REPRODUCIBILITY OF RESULTS;

EID: 47349099128     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700433d     Document Type: Article

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