Effect of Flattened Structures of Molecules and Materials on Machine Learning Model Training-Reference-Cited by-同舟云学术

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Effect of Flattened Structures of Molecules and Materials on Machine Learning Model Training

Published:2023-08-25 Issue:17 Volume:63 Page:5446-5456
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

de Azevedo Luis Cesar¹,Prati Ronaldo C.¹^ORCID

Affiliation:

1. Center of Mathematics, Computation and Cognition, Federal University of ABC, Avenida dos Estados, 5001, 09210-580 Santo André, São Paulo, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Ag?ncia Nacional do Petr?leo, G?s Natural e Biocombust?veis

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Shell

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00242

Reference33 articles.

1. Machine learning unifies the modeling of materials and molecules

2. Quantum Chemistry in the Age of Machine Learning

3. A Critical Review of Machine Learning of Energy Materials

4. Machine learning the computational cost of quantum chemistry

5. Machine Learning Force Fields

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