Unveiling the Adsorption and Electronic Interactions of Drugs on 2D Graphsene: Insights from DFT and Machine Learning Approach

Chaithanya Purushottam Bhat, Pranav Suryawanshi, Aditya Guneja +1

Efficient identification of promising drug candidates for nanomaterial-based delivery systems is essential for advancing next-generation therapeutics. In this work, we present a sy…