Expert system for predicting reaction conditions: The Michael reaction case

Journal of Chemical Information and Modeling

Volumn 55, Issue 2, 2015, Pages 239-250

  Marcou, G ^a   Aires De Sousa, J ^b   Latino, D A R S ^b   De Luca, A ^a   Horvath, D ^a   Rietsch, V ^c   Varnek, A ^a,d  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b UNIVERSIDADE NOVA DE LISBOA   (Portugal)

^c ENovalys   (France)

^d KAZAN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; DECISION TREES; EXPERT SYSTEMS; FORECASTING; HYDROPHOBICITY; LEARNING SYSTEMS; REAGENTS; SUPPORT VECTOR MACHINES;

CHEMICAL TRANSFORMATIONS; CLASSIFICATION MODELS; FEASIBILITY CONDITION; HYDROPHOBIC SOLVENT; LEWIS ACID CATALYSTS; MACHINE LEARNING METHODS; PREDICTIVE PERFORMANCE; SYNTHETIC CONDITIONS;

ADDITION REACTIONS;

DYES, REAGENTS, INDICATORS, MARKERS AND BUFFERS;

ALGORITHM; BAYES THEOREM; CATALYSIS; CHEMICAL MODEL; EXPERT SYSTEM; FACTUAL DATABASE; INFORMATION SCIENCE; MACHINE LEARNING; ORGANIC CHEMISTRY; PREDICTIVE VALUE; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; SUPPORT VECTOR MACHINE;

ALGORITHMS; BAYES THEOREM; CATALYSIS; CHEMISTRY, ORGANIC; DATABASES, FACTUAL; EXPERT SYSTEMS; INDICATORS AND REAGENTS; INFORMATICS; MACHINE LEARNING; MODELS, CHEMICAL; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; SUPPORT VECTOR MACHINE;

EID: 84923342034     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500698a     Document Type: Article

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