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A technique to accurately assess the applicability area of mobile membrane permeability predictors for cyclic peptides

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00056K, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Gökçe Geylan, Leonardo De Maria, Ola Engkvist, Florian David, Ulf NorinderThis work outlines peptide predictive model methodology with conformal prediction, focusing on extrapolation task.

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Bioprocessing 4.0: A Pragmatic Evaluation and Long term Views

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00127C, Perspective Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Kesler Isoko, Joan Cordiner, Zoltan Kis, Peyman Z MoghadamIn the dynamic landscape of industrial evolution, Industry 4.0 (I4.0) presents opportunities to revolutionise products, processes,

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Solvmate – a hybrid bodily/ML option to solvent advice leveraging a rank-based drawback framework

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00138A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Jan Wollschläger, Floriane MontanariReframing organic solubility as ranking leads to robust and generalizable models, and opens up new perspectives on this classic problem.To cite

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