Diversity matters: Widening the chemical space in organic solvent nanofiltration

Niche membrane technologies, such as organic solvent nanofiltration (OSN), offer considerable energy and operation cost reduction compared with conventional separation methods. However, despite their many advantages, industrial implementation is hindered by small specialized datasets, which hinders the development of more advanced prediction In this study, we developed a medium-throughput system (MTS) for OSN high robustness low error. The MTS was used to generate dataset containing 336 different molecules, rejection values were measured at two pressures using three commercial DuraMem polyimide membranes molecular weight cut-off in methanol. diversity generated other relevant datasets 26 chemometric descriptors, including heteroatom count, topological surface area, shape Van der Waals volume, logP, logS. found be weakly dependent on functional group lower end range. We proposed use novel structural similarity-based indexing method comparing solutes. Also, established first open-access searchable values. newly www.osndatabase.com pilot website acts foundation dataset.