Improving drug repositioning with negative data labeling using large language models

Abstract Introduction Drug repositioning offers numerous advantages, such as faster development timelines, reduced costs, and lower failure rates in drug development. Supervised machine learning is commonly used to score drug candidates but is hindered by the lack of reliable negative data—drugs tha...

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Bibliographic Details
Main Authors: Milan Picard, Mickael Leclercq, Antoine Bodein, Marie Pier Scott-Boyer, Olivier Perin, Arnaud Droit
Format: Article
Language:English
Published: BMC 2025-02-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-025-00962-0
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