Table 4.
Number of features | 1024 | 2048 | 4096 | 8192 |
Times selected | 24 | 17 | 10 | 25 |
Algorithm | RF | SVM | NB | |
Times selected | 14 | 60 | 2 |
To limit the number of parameters we skip FCFPs and set the ECFP diameter to 4. For support vector machines different parameters have been optimized (as described in ”Experimental” section). A complete list of selected parameters and nested cross-validation results can be found in Additional file 2