Benchmark Data Set
for In Silico Prediction of Ames Mutagenicity

On these pages we present a public benchmark data set of 6512 chemical compounds together with their Ames mutagenicity test results (2-class classification problem). The data set was designed for the evaluation of in silico prediction methods. [ Download | Results ]

Available Versions

		compounds	online since
Version 2	Information	6512	April 2009
Version 1	Information	7090	November 2008

Results

Here the results of different in silico prediction methods evaluated on the benchmark data set are listed:

Date	Dataset	Method	AUC	Sensitivity	Specificity	Reference
09.11.2008	Version 1	Gaussian Process	0,88	0,86	0,75	poster (download) on 4.GCC
09.11.2008	Version 1	Support Vector Machine	0,89	0,87	0,75	poster (download) on 4.GCC
09.11.2008	Version 1	Random Forest	0,83	0,83	0,75	poster (download) on 4.GCC