Cargando…
Delfos: deep learning model for prediction of solvation free energies in generic organic solvents
Prediction of aqueous solubilities or hydration free energies is an extensively studied area in machine learning applications in chemistry since water is the sole solvent in the living system. However, for non-aqueous solutions, few machine learning studies have been undertaken so far despite the fa...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7017869/ https://www.ncbi.nlm.nih.gov/pubmed/32110289 http://dx.doi.org/10.1039/c9sc02452b |