Cargando…
SMILES-based deep generative scaffold decorator for de-novo drug design
Molecular generative models trained with small sets of molecules represented as SMILES strings can generate large regions of the chemical space. Unfortunately, due to the sequential nature of SMILES strings, these models are not able to generate molecules given a scaffold (i.e., partially-built mole...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7260788/ https://www.ncbi.nlm.nih.gov/pubmed/33431013 http://dx.doi.org/10.1186/s13321-020-00441-8 |