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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...
Gardado en:
| Publicado en: | J Comput Aided Mol Des |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Springer International Publishing
2021
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7982389/ https://ncbi.nlm.nih.gov/pubmed/33598870 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-021-00376-8 |
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