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Prediction Model of Organic Molecular Absorption Energies based on Deep Learning trained by Chaos-enhanced Accelerated Evolutionary algorithm
As an important physical property of molecules, absorption energy can characterize the electronic property and structural information of molecules. Moreover, the accurate calculation of molecular absorption energies is highly valuable. Present linear and nonlinear methods hold low calculation accura...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6872818/ https://www.ncbi.nlm.nih.gov/pubmed/31754116 http://dx.doi.org/10.1038/s41598-019-53206-1 |