Predicting small molecules solubility on endpoint units the usage of deep ensemble neural networks

Digital Discovery, 2024, 3,786-795
DOI: 10.1039/D3DD00217A, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Mayk Caldas Ramos, Andrew D. White
We propose a new way of deploying deep learning models to improve reproducibility and usability, making predictions with uncertainty.
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