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