Accelerating nanodrug development in continuous flow systems using informed prediction models based on low-cost surrogate nanoparticles
This study addresses the challenges in nanomedicine development posed by the high sensitivity of nanoparticle size and polydispersity index to process parameters, which renders traditional trial-and-error approaches costly and time-consuming. To overcome this, the work integrates microfluidic experimentation with expert knowledge and, for the first time, incorporates shape constraints into a machine learning model. By leveraging a small amount of low-cost surrogate data, the approach accurately predicts critical physicochemical properties of lipid-based nanoparticles. The method achieves high-fidelity modeling of both liposome and lipid nanoparticle size and dispersity with minimal experimental samples, substantially reducing the need for extensive screening experiments and enabling rational, efficient design of nanomedicine manufacturing processes in continuous-flow systems.