Texas Tech University

Topological Regression for QSAR Modeling Published in Nature Communications

Texas Tech University

June 27, 2024

ranadip pal

Dr. Pal and his team's research has been published in Nature Communications.

The latest on topological regression for Quantitative Structure-Activity Relationship (QSAR) modeling has been published in Nature Communications. The paper, titled "Topological Regression as an Interpretable and Efficient Tool for Quantitative Structure-Activity Relationship Modeling," is authored by Ruibo Zhang, Daniel Nolte, César Sánchez, S. Ghosh, and Ranadip Pal from the Electrical and Computer Engineering Department at Texas Tech University

They proposed a similarity-based regression framework, topological regression (TR), that offers a statistically grounded, computationally fast, and interpretable technique to predict drug responses. Our results indicate that the TR framework provides predictive performance similar to state-of-the-art deep learning models while being significantly more interpretable and scalable.

Read the full article here