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COVER: conformational oversampling as data augmentation for molecules
Training neural networks with small and imbalanced datasets often leads to overfitting and disregard of the minority class. For predictive toxicology, however, models with a good balance between sensitivity and specificity are needed. In this paper we introduce conformational oversampling as a means...
| Автори: | , , |
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| Формат: | Online Стаття Текст |
| Мова: | English |
| Опубліковано: |
Springer International Publishing
2020
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| Предмети: | |
| Онлайн доступ: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7080709/ https://www.ncbi.nlm.nih.gov/pubmed/33430975 http://dx.doi.org/10.1186/s13321-020-00420-z |