An area where the multi-fidelity optimization struggles is in the prediction of alcohols, where outside of mixtures with the improved esters/ketones, predictions are either slightly improved or degraded. While the simulation-only optimized parameters perform slightly better on alcohols, they see similar regressions in the predictions of alcohol and alcohol-mixture densities. This may due to deficiencies in the AM1-BCC charge model for alcohols , leading to compensation in LJ parameters and reduced transferability.