Enhancing uncertainty quantification in drug discovery with censored regression labels

In the early stages of drug discovery, decisions regarding which experiments to pursue can be influenced by computational models for quantitative structure–activity relationships (QSAR). These decisions are critical due to the time-consuming and expensive nature of the experiments. Therefore, it is...

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Bibliographic Details
Main Authors: Emma Svensson, Hannah Rosa Friesacher, Susanne Winiwarter, Lewis Mervin, Adam Arany, Ola Engkvist
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Artificial Intelligence in the Life Sciences
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Online Access:http://www.sciencedirect.com/science/article/pii/S2667318525000042
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