Finally, we explored the potential of the PoE chemical language model in multi-constraint compound generation, where the goal is to generate compounds that simultaneously satisfy multiple criteria. To this end, we trained additional expert and anti-expert models for QED and blood-brain barrier (BBB) permeability 66 scores using compounds in the DOCKSTRING dataset. BBB permeability is one of the key considerations when designing compounds that can reach targets in the central nervous system, such as DRD2. We employed a linear discriminant analysis model derived by Vilar et al.: log BBclass = 0.5159 × CLogP -0.0277 × TPSA -0.3462.