Our dataset extends the formulation library of Alves et al. containing a diverse set of drugs particularly in terms of measurements involving additional polymer compositions. We previously determined curcumin to show relatively low loading for A-nBuOx-A (3.2 g/L), but very high loading for A-nPrOzi-A (11.9 g/L) containing a structural isomer as B block. For paclitaxel, B blocks with butyl sidechains are preferred instead . Investigating the model outcomes at 8 g/L drug feed, both cases are classified correctly by mordred-LE80-RF, with the curcumin data point located within the TS used for cross-validated model generation and the paclitaxel data point within the external HS used for additional external validation. Large differences in SHAP values between the systems A-nBuOx-A and A-nPrOzi-A with the same block lengths for both drug molecules are determined in particular for topological autocorrelation and 3D MoRSE descriptors (Figure ). AT SC4v and AT SC6c encode for the distribution of the van der Waals volume and charges, M or03p for the polarizability.