Machine Learning-Driven Prediction of TLR4 Binding Affinity: A Comprehensive Molecular Feature Analysis for Drug Discovery
Brandon Yee, Maximilian Rutowski, Wilson Collins
This paper develops a machine learning model to predict TLR4 binding affinity using molecular descriptors, identifying key features that guide the design of TLR4-targeted therapeutics.
bioRxiv · Sep 26, 2025 · PreprintBioinformatics