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Table 4 Number of selected configurations for optimized web service models (for each of the 76 datasets)

From: Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability

Number of features 1024 2048 4096 8192
Times selected 24 17 10 25
Algorithm RF SVM NB  
Times selected 14 60 2  
  1. 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