Machine Learning-Driven Rational Design in Nanomedicine: Advances in Computational Drug Delivery and In Silico Screening

This book explores how machine learning is transforming nanomedicine, with a focus on the rational design of lipid nanoparticles (LNPs) for mRNA-based therapies. Moving beyond traditional, labor-intensive workflows, it highlights AI-driven methods—such as supervised learning, data augmentation, and deep learning—for predictive modeling and in silico screening.

Key topics include chemoinformatics, molecular fingerprinting, and strategies to optimize LNP transfection efficiency and biocompatib...