Predicting chemical ecotoxicity by learning latent space chemical representations

In silico prediction of chemical ecotoxicity (HC50) represents an important complement to improve in vivo and in vitro toxicological assessment of manufactured chemicals. Recent application of machine learning models to predict chemical HC50 yields variable prediction performance that depends on eff...

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Bibliographic Details
Main Authors: Baccarelli, A.A (Author), Gao, F. (Author), Shen, Y. (Author), Zhang, W. (Author)
Format: Article
Language:English
Published: Elsevier Ltd 2022
Subjects:
Online Access:View Fulltext in Publisher