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Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns

Computational Chemistry is currently a synergistic assembly between ab initio calculations, simulation, machine learning (ML) and optimization strategies for describing, solving and predicting chemical data and related phenomena. These include accelerated literature searches, analysis and prediction...

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Detalles Bibliográficos
Autores principales:	Cova, Tânia F. G. G., Pais, Alberto A. C. C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6988795/ https://www.ncbi.nlm.nih.gov/pubmed/32039134 http://dx.doi.org/10.3389/fchem.2019.00809

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