it's a QSAR modelling for 3 endpoints

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This document explores the development and evaluation of QSAR models with a focus on predicting endpoints in ADME processes. It highlights the challenges and improvements in the hepatic intrinsic clearance models using data from various sources like ChEMBL and DrugBank, along with OATP1B1 transporter inhibition models employing XGBoost and PLS techniques. Additionally, the evaluation of pesticide metabolite prediction tools reveals successes and overestimations. Future directions include...