Be aware of overfitting by hyperparameter optimization!
Abstract Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected seven thermodynamic and kinetic solubility datasets fr...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2024-12-01
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| Series: | Journal of Cheminformatics |
| Online Access: | https://doi.org/10.1186/s13321-024-00934-w |
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