This new directory contains tables and bar plots of molecular statistics analysis.
Molecular statistics analysis was performed to indicate logP values of which molecules of SAMPL6 logP Challenge set were more difficult to predict accurately across participated methods. Error statistics (MAE and RMSE) were calculated for each molecule averaging across all methods or for all methods within a method category (Physical, Empirical, Mixed, or Other). 95% confidence intervals of error statistics were calculated via bootstrapping (10000 samples).
This new directory contains tables and bar plots of molecular statistics analysis.
Molecular statistics analysis was performed to indicate logP values of which molecules of SAMPL6 logP Challenge set were more difficult to predict accurately across participated methods. Error statistics (MAE and RMSE) were calculated for each molecule averaging across all methods or for all methods within a method category (Physical, Empirical, Mixed, or Other). 95% confidence intervals of error statistics were calculated via bootstrapping (10000 samples).