Cargando…
A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules
The process of developing new compounds and materials is increasingly driven by computational modeling and simulation, which allow us to characterize candidates before pursuing them in the laboratory. One of the non-trivial properties of interest for organic materials is their packing in the bulk, w...
| 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/PMC6855195/ https://www.ncbi.nlm.nih.gov/pubmed/31762970 http://dx.doi.org/10.1039/c9sc02677k |