Cargando…
MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning
The hit-to-lead process makes the physicochemical properties of the hit molecules that show the desired type of activity obtained in the screening assay more drug-like. Deep learning-based molecular generative models are expected to contribute to the hit-to-lead process. The simplified molecular inp...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626955/ https://www.ncbi.nlm.nih.gov/pubmed/34838134 http://dx.doi.org/10.1186/s13321-021-00572-6 |