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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...
Shranjeno v:
| izdano v: | J Comput Aided Mol Des |
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| Main Authors: | , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Springer International Publishing
2020
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7292817/ https://ncbi.nlm.nih.gov/pubmed/31960253 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00274-0 |
| Oznake: |
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