Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification
Applied datasets can vary from a few hundred to thousands of samples in typical quantitative structure-activity/property (QSAR/QSPR) relationships and classification. However, the size of the datasets and the train/test split ratios can greatly affect the outcome of the models, and thus the classifi...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-02-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/26/4/1111 |