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Electron configuration-based neural network model to predict physicochemical properties of inorganic compounds
Registration, evaluation, and authorization of chemicals (REACH), the regulation of chemicals in use, imposes the characterization and report of the physicochemical properties of compounds. To cope with the financial burden of the experiments, the use of computational models is permitted for predict...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056678/ https://www.ncbi.nlm.nih.gov/pubmed/35515036 http://dx.doi.org/10.1039/d0ra05873d |