Open access
Sep 2026
Machine Learning for Toxicity Prediction in Low-Sample Molecular Classes
A framework that fine-tunes a general baseline model trained on publicly available data on small, class-specific datasets to retain the baseline’s generalization ability while gaining class-specific accuracy and produce probabilistic outputs that capture uncertainty in the training data is proposed.
C. Barajas, Laura L. Dunphy, Luke C. Mullany et al.
· bioRxiv · 0 citations