Carol Mulrooney
Senior Principal Scientist, Cheminformatics GSK
Carol A. Mulrooney, Ph. D. is a Senior Principal Scientist in GSK’s Encoded Technologies Platform who focuses on data analysis of DNA-encoded library selections with the goal of identifying novel small molecule leads for drug discovery projects.
Seminars
Friday 20th March 2026
Applying ML to Analyze DNA Encoded Library Data in 3D
12:30 pm
- Highlight that current methods to identify structural similarities among hits from DEL screens focus on 2D methods
- Analyze pharmacophore and shape similarity is valuable although computationally expensive
- Learn how to approximate expensive steps with ML and apply to historical and test data sets
