DLM is a member of the Scientific Advisory Board of OpenEye Scientific Software, and DLM is an Open Science Fellow with Silicon Therapeutics. Learning/CORINA MD ranked predictions for GDCC (top row) and exo-OA (bottom row). The AMOEBA/DDM/BAR approach performed particularly well by a variety of metrics, as did RESP/GAFF/MMPBSA-Cor. The former had the slope closest to 1 and its RMS error was among the lowest, whereas the latter performed better on error and correlation metrics but had a slope which was systematically incorrect. (See . Cyclodextrin derivatives error metrics for ranked methods. Shown are CD submissions ordered based on the median and is indicated by the white circle in the violin plots. The violin plots were generated by bootstrapping samples with replacement, and the plots describe the shape of the sampling distribution for each prediction. The black horizontal bar represents the first and third quartiles. From top to bottom the error metrics are RMSE, ME, R 2 , , and slope (m). AM1-BCC/GAFF/TIP4PEW/QMMM method was not included in these plots. In addition, the optional bCD-g1 and bCD-g2 host-guest systems are not included in this analysis.