ToxACoL: an endpoint-aware and task-focused compound representation learning paradigm for acute toxicity assessment

Abstract Multi-species acute toxicity assessment forms the basis for chemical classification, labelling and risk management. Existing deep learning methods struggle with diverse experimental conditions, imbalanced data, and scarce target data, hindering their ability to reveal endpoint associations...

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Bibliographic Details
Main Authors: Jiang Lu, Lianlian Wu, Ruijiang Li, Mengxuan Wan, Jun Yang, Peng Zan, Hui Bai, Song He, Xiaochen Bo
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-60989-7
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