Automatic determination of reaction mappings and reaction center information. 1. The imaginary transition state energy approach

Journal of Chemical Information and Modeling

Volumn 48, Issue 6, 2008, Pages 1181-1189

  Körner, Robert ^a   Apostolakis, Joannis ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ALTERNATIVE SOLUTIONS; AUTOMATIC DETERMINATION; BIOCHEMICAL REACTIONS; CRUDE APPROXIMATIONS; REACTION ENERGETICS; REACTION MECHANISM; THEORETICAL MODELING; TRANSITION STATE ENERGIES;

MOLECULES;

ENZYME; HYDROGEN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; FACTUAL DATABASE; METABOLISM; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

DATABASES, FACTUAL; ENZYMES; HYDROGEN; MODELS, CHEMICAL; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

EID: 47349103512     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci7004324     Document Type: Article

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