Novel in silico nano-drug design and delivery systems employing the density functional theory: a review

Abstract

Nanoinformatics is a next-generation method for designing and simulating nanodrug candidates. It involves combining bioinformatics and quantum tools to predict and evaluate drugs. This approach addresses scientific problems in cheminformatics, configuration optimization, drug development, and administration. The integration of bioinformatics and quantum tools is crucial for the understanding of these advancements.