VitroBert: modeling DILI by pretraining BERT on in vitro data

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 insights into how molecules intera...

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Bibliographic Details
Main Authors: Muhammad Arslan Masood, Anamya Ajjolli Nagaraja, Katia Belaid, Natalie Mesens, Hugo Ceulemans, Samuel Kaski, Dorota Herman, Markus Heinonen
Format: Article
Language:English
Published: BMC 2025-08-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-025-01048-7
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