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Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction
Machine learning methods may have the potential to significantly accelerate drug discovery. However, the increasing rate of new methodological approaches being published in the literature raises the fundamental question of how models should be benchmarked and validated. We reanalyze the data generat...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7292817/ https://www.ncbi.nlm.nih.gov/pubmed/31960253 http://dx.doi.org/10.1007/s10822-019-00274-0 |