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Published in 2025 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-025-01048-7
Abstract: Drug-induced liver injury (DILI) presents a significant challenge due to its complexity, small datasets, and severe class imbalance. While unsupervised pretraining is a common approach to learn molecular representations for downstream tasks, it often lacks…
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Keywords:
loss;
dili;
vitrobert modeling;
vitro data ... See more keywords