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Predicting Pharmacokinetics properties of drugs with python and/or R. Suggestions welcomed!

Hi everyone,

I am a pharmacist working in the tech industry and since i code in python and R i have been studying ways to predict pharmacokinetics properties of drugs. I was specially looking into oral bioavailability and albumin binding.

I have been working with chembl and drugdatabank and started making some models, like naives bayes, random forest, svr and some minimal NN .

Do you have suggestions on what path to pursue and data to gather? Any advice is welcomed.

Thank you very much!

drug discovery pharmacokinetics

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