Instead, we evaluate top-performing algorithms with ECFP and Mordred representations: SVR and the tree-based algorithms (RF, HGB, XGBoost, NGBoost). When combined with device fabrication parameters, Mordred descriptors slightly outperform ECFP for encoding molecular structure of the donor and acceptor materials on average (Figure ), however the difference is not statistically significant. For example, the performance of RF models increases from R 2 = 0.58±0.03 to R 2 = 0.60±0.02.