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DeepReac+: deep active learning for quantitative modeling of organic chemical reactions
Various computational methods have been developed for quantitative modeling of organic chemical reactions; however, the lack of universality as well as the requirement of large amounts of experimental data limit their broad applications. Here, we present DeepReac+, an efficient and universal computa...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8580052/ https://www.ncbi.nlm.nih.gov/pubmed/34880997 http://dx.doi.org/10.1039/d1sc02087k |