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   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.