An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards
- DOI
- 10.1021/acs.jcim.6c00819
- Published
- 2026-07-02
- Container
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jcim.6c00819,
title = {An End-User Audit of Reproducibility, Data Leakage,
and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards},
author = {Ihor Koleiev and Roman Stratiichuk and Nazar Shevchuk and Mykola Melnychenko and Alex Nyporko and Daniil Todoryshyn and Vladyslav Husak and Sergii Starosyla and Semen Yesylevskyy and Alan Nafiiev},
year = {2026},
journal = {Journal of Chemical Information and Modeling},
doi = {10.1021/acs.jcim.6c00819},
url = {https://doi.org/10.1021/acs.jcim.6c00819}
}RIS
TY - JOUR TI - An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards AU - Ihor Koleiev AU - Roman Stratiichuk AU - Nazar Shevchuk AU - Mykola Melnychenko AU - Alex Nyporko AU - Daniil Todoryshyn AU - Vladyslav Husak AU - Sergii Starosyla AU - Semen Yesylevskyy AU - Alan Nafiiev PY - 2026 JO - Journal of Chemical Information and Modeling DO - 10.1021/acs.jcim.6c00819 UR - https://doi.org/10.1021/acs.jcim.6c00819 ER -
APA
Koleiev, I., Stratiichuk, R., Shevchuk, N., Melnychenko, M., Nyporko, A., Todoryshyn, D., Husak, V., Starosyla, S., Yesylevskyy, S., & Nafiiev, A. (2026). An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.6c00819
Source records
- crossref · retrieved 2026-11-09T01:49:02.026Z