A program to automate the discovery of drugs for West Nile and Dengue virus -- programmatic screening of over a billion compounds on PubChem, generation of drug leads and automated In Silico modelling
Ben Geoffrey A S, Akhil Sanker, Rafał Madaj…·Judith Gracia
The paper presents a Python program that screens over a billion compounds from PubChem using machine learning to generate drug leads for Dengue and West Nile viruses, followed by automated In Silico modelling of their interactions with methyltransferase targets.