An Explainable Machine Learning Framework for Predicting Blood-Brain Barrier Permeability Using Molecular Descriptors

arXiv:2609.10012 · cs.LG, cond-mat.mtrl-sci · Submitted 2026-09-09 · Read on arXiv

cs.LG, cond-mat.mtrl-sci

Submitted: 2026-09-09

Updated: 2026-09-09

Comments: 19 pages, 6 figures, 4 tables. Source code and processed data are publicly available on GitHub

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• AUC — 2× in this paper · explained in 2 episodes
• Accuracy — 1× in this paper · explained in 1 episode
• Interpretability — 1× in this paper · explained in 15 episodes
• Robustness — 1× in this paper · explained in 5 episodes

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