Juli 30, 2024 In Unkategorisiert
A technique to accurately assess the applicability area of mobile membrane permeability predictors for cyclic peptides
Digital Discovery, 2024, Advance Article
DOI: 10.1039/D4DD00056K, Paper
DOI: 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 Norinder
This work outlines peptide predictive model methodology with conformal prediction, focusing on extrapolation task. Calibrating on the unseen chemical space recovers efficiency and validity enabling reliable predictions without retraining the models.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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This work outlines peptide predictive model methodology with conformal prediction, focusing on extrapolation task. Calibrating on the unseen chemical space recovers efficiency and validity enabling reliable predictions without retraining the models.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
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