20 December 2022 2 9K Report

Hello. I am going to show accuracy by comparing the predicted values between admet prediction programs as the topic of my graduation thesis.

I am looking for experimental values related to admet for a specific compound. I looked for admet-related experimental values such as logP, logS, Caco2, HIA, Vd, BBB, pgp, pka, and CYP450 in drugbank, pubchem, and paper.

However, the experimental values in pubchem and drugbank had only a few simple values such as melting point, boiling point, etc. All of the admet characteristic values presented in pubchem and drugbank were predicted values. My advisor tells me to somehow find the actual experimental value to compare with the predicted value, but I failed to find it, and I have no idea. In addition, I don't know if all of the admet-related characteristics are experimentally measurable or include virtual values that can only be measured by the in silicon method.

I would like to ask how I can get the actual experimental values for the admet-related characteristics.

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