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Modular Software for Generating and Modeling Diverse Polymer Databases
[Image: see text] Machine learning methods offer the opportunity to design new functional materials on an unprecedented scale; however, building the large, diverse databases of molecules on which to train such methods remains a daunting task. Automated computational chemistry modeling workflows are...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10302471/ https://www.ncbi.nlm.nih.gov/pubmed/37288782 http://dx.doi.org/10.1021/acs.jcim.3c00081 |