Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data
BibTeX
@article{fooladi2025evaluating,
title={Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data},
author={Fooladi, Hosein and Vu, Thi Ngoc Lan and Mathea, Miriam and Kirchmair, Johannes},
journal={Journal of Chemical Information and Modeling},
volume={65},
number={19},
pages={9871--9891},
year={2025},
publisher={ACS Publications}
}