Compound Screening with Deep Learning for Neglected Diseases: Leishmaniasis
Jonathan Smith, Hao Xu, Xinran Li, Laurence Yang, Jahir M. Gutierrez
The paper develops a deep learning pipeline for drug re-purposing in Leishmaniasis, combining it with molecular docking to select top candidates based on molecular descriptor similarity.
bioRxiv · Oct 2, 2021 · PreprintMolecular Biology