From e365e55d4216407c23a2cee9b486c46c5e4ad2f7 Mon Sep 17 00:00:00 2001 From: Mehtap Isik Date: Thu, 25 Apr 2019 16:08:35 -0400 Subject: [PATCH] Minor correction to physical_properties/logP/analysis/README. --- physical_properties/logP/analysis/README.md | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/physical_properties/logP/analysis/README.md b/physical_properties/logP/analysis/README.md index c1c87d2d..a0379a91 100644 --- a/physical_properties/logP/analysis/README.md +++ b/physical_properties/logP/analysis/README.md @@ -9,10 +9,10 @@ General analysis of log *P* predictions include calculated vs predicted log *P* - `analysis_outputs/` - All analysis outputs are organized under this directory. Also includes submission IDs assigned to each submission. - - `error_for_each_logP.pdf` - Violin plots that show error distribution of predictions related to each experimental logP. - - `logPCorrelationPlots/` - This directory contains plots of predicted vs. experimental logP values with linear regression line (blue) for each method. Files are named by submission ID of each method, which can be found in `statistics_table.pdf`. In correlation plots, dashed black line has slope of 1. Dark and light green shaded areas indicate +-0.5 and +-1.0 logP unit error regions, respectively. - - `pKaCorrelationPlotsWithSEM/` - This directory contains similar plots to the `pKaCorrelationPlots/` directory with error bars added for Standard Error of the Mean(SEM) of experimental and predicted values for submissions that reported these values. Since experimental logP SEM values are small horizontal error bars are mostly not visible. - - `AbsoluteErrorPlots/` - This directory contains a bar plot for each method showing the absolute error for each logP prediction compared to experimental value. + - `error_for_each_logP.pdf` - Violin plots that show error distribution of predictions related to each experimental log *P*. + - `logPCorrelationPlots/` - This directory contains plots of predicted vs. experimental log *P* values with linear regression line (blue) for each method. Files are named by submission ID of each method, which can be found in `statistics_table.pdf`. In correlation plots, dashed black line has slope of 1. Dark and light green shaded areas indicate +-0.5 and +-1.0 log *P* unit error regions, respectively. + - `pKaCorrelationPlotsWithSEM/` - This directory contains similar plots to the `pKaCorrelationPlots/` directory with error bars added for Standard Error of the Mean(SEM) of experimental and predicted values for submissions that reported these values. Since experimental log *P* SEM values are small horizontal error bars are mostly not visible. + - `AbsoluteErrorPlots/` - This directory contains a bar plot for each method showing the absolute error for each log *P* prediction compared to experimental value. - `StatisticsTables/` - This directory contains machine readable copies of Statistics Table, bootstrap distributions of performance statistics, and overall performance comparison plots based on RMSE and MAE values. - `statistics.pdf` - A table of performance statistics (RMSE, MAE, ME, R^2, linear regression slope(m), and error slope(ES)) for all the submissions. - `RMSE_vs_method_plot.pdf` @@ -30,7 +30,7 @@ General analysis of log *P* predictions include calculated vs predicted log *P* - `statistics_bootstrap_distributions.pdf` - Violin plots showing bootstrap distributions of performance statistics of each method. Each method is labelled by submission ID. - `QQPlots/` - Quantile-Quantile plots for the analysis of model uncertainty predictions. - ## Submission IDs for logP prediction methods + ## Submission IDs for log *P* prediction methods SAMPL6 log *P* challenge submissions were listed in the ascending order of RMSE.