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13321_2016_130_MOESM6_ESM.pdf Additional file 6. Kinase test data set.
Throughout this section, n represents the number of actives in the test data set and N the total number of molecules in the test data set.
In order to study the impact of the test data set size on the prediction errors, test data set sizes were varied between 2 and 30 objects.
We present results of test runs applied to the synthetic Swarm test data set.
After training the multiple neural networks they are tested with an unseen test data set.
After the optimal feature subset has been selected, classification is done on the test data set.
Also for the test data set the data on vibrations and surface were recorded.
The test data set included incidents between March 2004 and February 2005.
In the outer loop of double cross-validation, 4 different test data set sizes were computed.
Table 4 shows the objective measures for the measured test data set.
The gray area represents the prediction intervals for the test data set.
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