Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

[Image: see text] Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this requires a confluence and coaction of expert...

Descripción completa

Detalles Bibliográficos
Autores principales: Keith, John A., Vassilev-Galindo, Valentin, Cheng, Bingqing, Chmiela, Stefan, Gastegger, Michael, Müller, Klaus-Robert, Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391798/
https://www.ncbi.nlm.nih.gov/pubmed/34232033
http://dx.doi.org/10.1021/acs.chemrev.1c00107

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391798/
https://www.ncbi.nlm.nih.gov/pubmed/34232033
http://dx.doi.org/10.1021/acs.chemrev.1c00107

Ejemplares similares