nanoparticle-drug-delivery

This repository contains the computational modeling framework, simulation code, and analysis workflows used for investigating pH/ROS dual-responsive nanoparticle systems for targeted atherosclerosis therapy. The project focuses on using mathematical modeling and optimization techniques to predict nanoparticle drug-release behavior

3D tumor spheroid simulation of nanoparticle drug delivery strategies using PhysiCell/pc4nanobio (C++)

This project evaluates whether PLGA nanoparticle encapsulation efficiency can be predicted for unseen small-molecule drugs using public formulation data. Drug-grouped validation assesses generalization, while molecular, polymer, and formulation variables are examined for their contribution to model predictions.