Cargando…
Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions
Machine learning (ML) enables modeling of quantitative structure–activity relationships (QSAR) and compound potency predictions. Recently, multi-target QSAR models have been gaining increasing attention. Simultaneous compound potency predictions for multiple targets can be carried out using ensemble...
| 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/PMC7982389/ https://www.ncbi.nlm.nih.gov/pubmed/33598870 http://dx.doi.org/10.1007/s10822-021-00376-8 |