A new paper titled “A Solvent Selection Framework for Porous Organic Polymers” authored by Xue Fang, Ulzhalgas Karatayeva, John Worth, Merve Gumussoy Girgin, Safa Ali Al Siyabi, Dauren Mukhanov, Ella M. Gale, Charl Faul, and Natalie Fey, is now available online Open Access in Journal of Chemical Information and Modeling!

This work introduces MLoc, a solvent selection toolkit that enables the rapid determination of Hansen solubility parameters (HSPs) to support the design of novel functional porous organic polymers. With a HSP database for 17 different porous organic polymers, the MLoc-guided case study demonstrated a 220% improvement in CO₂ uptake, along with effective morphology tuning through solvent optimization.

Check the paper for more details!