Certificate of Completion
THIS ACKNOWLEDGES THAT
HAS COMPLETED THE FALL 2024 DATA SCIENCE BOOT CAMP
Jessica Pan
Roman Holowinsky, PhD
December 11, 2024
DIRECTOR
DATE
TEAM
ML Based QSAR On TRPM8
Jaehyoun Seiler, Adedolapo Ojoawo, Carmen Al Masri, Jessica Pan
Our goal for this project was to use Quantitative structure-activity relationship (QSAR) to predict inhibitors for transient receptor potential cation channel subfamily M member 8 (TRPM8), an ion channel that mediates both cold and pain. QSAR enables the prediction of the molecule's potency based on its physical, chemical and structural properties. In this project, we developed a QSAR workflow, and then chose TRPM8 as a representative protein to test our process. We chose TRPM8 because there are no approved drugs for it. Creating a model that would allow us to screen thousands of molecules and computationally score their inhibitor ability would be immensely useful, as it cuts down on the costly and lengthy process of screening these molecules in the lab.