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. 2022 Nov 23;13:1053744. doi: 10.3389/fphar.2022.1053744

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Copyright © 2022 Hassan, Abbas, Muhammad, Wu, Yan, Ali, Majid, Jin and Bungau.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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(A) A radar graphic showing CDPDP’s bioavailability. The pink area indicates the physicochemical region for oral bioavailability, while the red stroke shows the parameters of oral bioavailability. (B) Swiss ADME online web tool for CDPDP predicted BOILED-Egg plot. Map of skin sensitization of CDPDP obtained from pred-skin. (C) h-CLAT (D) LLNA. The positive and negative contributions of individual atoms or pieces to the skin sensitization have been identified. The bright pink hue shows that an atom and fragment have made a detrimental impact on skin sensitization.