Designing type II PLs for target applicaVons may be considered as a general mulV-objecVve opVmisaVon problem; the ideal molecular host and solvent pair must be selected to generate a viable PL, ensuring the solvent is permanently cavity-excluded and that a reasonable pore concentraVon is achieved. At their iniVal discovery, one example of a type II PL was prepared based on a vertex-disordered imine porous organic cage (POC) mixture dissolved in a size-excluded perchlorinated solvent aber a manual screen. Although seemingly simple, and while we have previously developed and reported an experimental highthroughput workflow to accelerate screening, this design problem is challenging in that it is simply too vast for brute-force experimental screening techniques. Indeed, there are esVmated to be 10 60 small molecules that could feasibly be synthesised; this does not account for the isoreVcular and combinatorial materials that could be formed via the modular assembly of these molecular building blocks. Consider a modest database of 1000 molecular hosts and 10000 candidate solvent molecules; this results in 10 million potenVal PLs, and is prohibiVvely large for exhausVve computaVon or experiment.