No electron left behind: A rule-based expert system to predict chemical reactions and reaction mechanisms

Journal of Chemical Information and Modeling

Volumn 49, Issue 9, 2009, Pages 2034-2043

  Chen, Jonathan H ^a   Baldi, Pierre ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; COMPUTER AIDED ANALYSIS; CURRICULA; E-LEARNING; EXPERT SYSTEMS; ORGANIC CHEMICALS; PRODUCT DESIGN; SYNTHESIS (CHEMICAL);

COMBINATORIAL LIBRARY DESIGN; COMPUTER-BASED LEARNING; DETAILED REACTION MECHANISMS; ELEMENTARY REACTION; REACTION PREDICTION; RETROSYNTHETIC ANALYSIS; RULE BASED EXPERT SYSTEMS; TRANSFORMATION RULES;

FORECASTING;

ARTICLE; CHEMICAL MODEL; COMBINATORIAL CHEMISTRY; ELECTRON; REPRODUCIBILITY; STEREOISOMERISM;

COMBINATORIAL CHEMISTRY TECHNIQUES; ELECTRONS; MODELS, CHEMICAL; REPRODUCIBILITY OF RESULTS; STEREOISOMERISM;

EID: 70349921822     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900157k     Document Type: Article

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