Planning chemical syntheses with deep neural networks and symbolic AI

Nature

Volumn 555, Issue 7698, 2018, Pages 604-610

  Segler, Marwin H S ^a,b   Preuss, Mike ^a   Waller, Mark P ^c  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b BenevolentAI   (United Kingdom)

^c SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC COMPOUND;

ARTIFICIAL INTELLIGENCE; CHEMICAL ANALYSIS; COMPUTER SIMULATION; HEURISTICS; MOLECULAR ANALYSIS; MONTE CARLO ANALYSIS;

ARTICLE; ARTIFICIAL INTELLIGENCE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMIST; COMPUTER AIDED DESIGN; HEURISTICS; HUMAN; MONTE CARLO METHOD; ORGANIC CHEMISTRY; POLICY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; SCIENTIST; SYNTHESIS; PROCEDURES;

ARTIFICIAL INTELLIGENCE; CHEMISTRY TECHNIQUES, SYNTHETIC; CHEMISTRY, ORGANIC; MONTE CARLO METHOD; NEURAL NETWORKS (COMPUTER);

EID: 85044660186     PISSN: 00280836     EISSN: 14764687     Source Type: Journal    
DOI: 10.1038/nature25978     Document Type: Article

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