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. 2022 Mar 1;27(5):1636. doi: 10.3390/molecules27051636

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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The expected ADMET study. ADMET_AlogP98: lipid-water partition coefficient; ADMET_PSA_2D: polar molecular surface area. Two-dimensional polar surface area (PSA_2D) each drug is plotted against their computed atom-type partition coefficient (ALogP98). The area encompassed by the ellipse represents good absorption without any violation of the ADMET properties. Based on Egan et al. [75] absorption model the 95% and 99% confidence limit ellipses corresponding to the blood–brain barrier (BBB) and intestinal absorption models are indicated.