Computational Models Using Multiple Machine Learning Algorithms for Predicting Drug Hepatotoxicity with the DILIrank Dataset

Computational Models Using Multiple Machine Learning Algorithms for Predicting Drug Hepatotoxicity with the DILIrank Dataset

Drug-induced liver injury (DILI) remains one of the challenges in the safety profile of both authorized and candidate drugs, and predicting hepatotoxicity from the chemical structure of a substance remains a task worth pursuing. Such an approach is coherent with the current tendency for replacing no...

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Bibliographic Details
Main Authors: Robert Ancuceanu, Marilena Viorica Hovanet, Adriana Iuliana Anghel, Florentina Furtunescu, Monica Neagu, Carolina Constantin, Mihaela Dinu
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:International Journal of Molecular Sciences
Subjects:
dilirank
dili
drug hepatotoxicity
qsar
nested cross-validation
virtual screening
in silico
Online Access:https://www.mdpi.com/1422-0067/21/6/2114

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