Deep Learning for Drug Lead Compound Prediction

 Aquib from Semester VIII B Tech CSE and Neha S from Semester VIII B Tech AIML have worked on AI application in drug discovery for COVID-19 cure. AI and deep learning have proven to be highly significant in drug lead discovery, particularly in the context of generating novel compounds from SMILES (Simplified Molecular Input Line Entry System) in the ChEMBL database. the advantages of improved reliability, classification, and predictive ability in drug discovery for Covid. The project aims at finding out binding affinity for Covid medicine. The picture depicts the binding affinity study performed using the PyRx software between compounds produced using a deep learning approach and the COVID-19 primary protease.