Integrating Cheminformatics and Comparative Machine Learning to Uncover Subtype Selectivity in PPAR Agonists
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1 Division of Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Khon Kaen University, 40002, Thailand.
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2 Center for Research Innovation and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok 10700, Thailand.
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Corresponding author.
E-mail address: nalini.sch@mahidol.ac.th (N. Schaduangrat)
This repository contains the data and Python files for training an ML model for predicting three subtypes of PPAR activators.