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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Udgivet i:Front Chem
Main Authors: Cova, Tânia F. G. G., Pais, Alberto A. C. C.
Format: Artigo
Sprog:Inglês
Udgivet: Frontiers Media S.A. 2019
Fag:
Chemistry
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6988795/
https://ncbi.nlm.nih.gov/pubmed/32039134
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00809
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