ReGen-DTI: A novel generative drug target interaction model for predicting potential drug candidates against SARS-COV2

Kaushik Bhargav Sivangi, Santhosh Amilpur, Chandra Mohan Dasari

Abstract: Highlights•Proposed a ReGen-DTI to generate novel molecules using GANs with reinforcement learning.•Model exhibits successful transfer of knowledge to recreate target specific molecules.•Proposed a novel DTI model capable of identifying drug molecules for target proteins.•The generated molecules have achieved best Kd(nM) of 9.26, lesser than available drugs.