Target2DeNovoDrugPropMax : a novel programmatic tool incorporating deep learning and in silico methods for automated de novo drug design for any target of interest
Rafał Madaj, Ben Geoffrey A S, Akhil Sanker, Pavan Preetham Valluri
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SRM Institute of Science and TechnologyORCID 0000-0003-0713-8080Unclaimed ORCID profile · follow to get notified of new preprints
3 papers
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Rafał Madaj, Ben Geoffrey A S, Akhil Sanker, Pavan Preetham Valluri
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.
Rafał Madaj, Akhil Sanker, Ben Geoffrey A S…·Abdulbasit Haliru Yakubu
The paper introduces a programmatic tool that automates drug discovery for Hepatitis C virus using machine learning and molecular dynamics simulations to identify potential drug candidates.