BioinformaticsbioRxivPreprint
A hybrid machine learning framework leveraging biophysicochemical insights for scalable discovery of protein-ligand interactions
Achal Ajeet Rayakar, Chaitanya Kumar Jaladanki, Qunxiang Ong…·Hao Ming Fan
The paper introduces a hybrid machine learning framework that improves protein-ligand interaction prediction by combining biophysicochemical insights with large-scale representations, achieving faster and more accurate virtual screening.