Cargando…
Inverse design of 3d molecular structures with conditional generative neural networks
The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel molecules from a learned distribution. Here, we propose a conditional generative neural network for 3d molecular structur...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8861047/ https://www.ncbi.nlm.nih.gov/pubmed/35190542 http://dx.doi.org/10.1038/s41467-022-28526-y |