Prediction of Organic Reaction Outcomes Using Machine Learning

ACS Central Science

Volumn 3, Issue 5, 2017, Pages 434-443

  Coley, Connor W ^a   Barzilay, Regina ^a   Jaakkola, Tommi S ^a   Green, William H ^b   Jensen, Klavs F ^a  

^a USA   (United States)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PATTERN RECOGNITION;

CRITICAL CHALLENGES; CROSS VALIDATION; MODEL FRAMEWORK; ORGANIC REACTION; REACTION STEPS; REACTION TEMPLATES; SYNTHESIS DESIGN; SYNTHESIS PROGRAMS;

LEARNING SYSTEMS;

EID: 85026415930     PISSN: 23747943     EISSN: 23747951     Source Type: Journal    
DOI: 10.1021/acscentsci.7b00064     Document Type: Article

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