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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...
| Những tác giả chính: | , , |
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| Định dạng: | Online Bài viết Texto |
| Ngôn ngữ: | English |
| Được phát hành: |
Springer International Publishing
2020
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| Những chủ đề: | |
| Truy cập trực tuyến: | 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 |