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Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst

Reaction databases provide a great deal of useful information to assist planning of experiments but do not provide any interpretation or chemical concepts to accompany this information. In this work, reactions are labeled with experimental conditions, and network analysis shows that consistencies wi...

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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Main Authors: Walker, Eric, Kammeraad, Joshua, Goetz, Jonathan, Robo, Michael T., Tewari, Ambuj, Zimmerman, Paul M.
Formato: Artigo
Idioma:Inglês
Publicado: 2019
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7167595/
https://ncbi.nlm.nih.gov/pubmed/31381340
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00313
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