Predicting Novel Drug Targets for PARP-1 Enzyme Inhibition Using Decision Tree Regression Modeling

In this project, I utilized Quantitative Structure-Activity Relationship (QSAR) analysis and chemical space exploration using PaDEL descriptors, Lipinski factors, and IC50 values to identify potential inhibitors for the PARP-1 enzyme. A Mann-Whitney U test was performed to assess theoretical efficacy, contributing to computational drug discovery efforts. The aim was to explore the potential for mitigating adipose tissue expansion, improving insulin sensitivity, and alleviating chronic low-grade inflammation associated with obesity.