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Table 5 The average final accuracy values—global, obtained for a particular fingerprint and particular target

From: Robust optimization of SVM hyperparameters in the classification of bioactive compounds

fingerprint/target Bayes Random Grid search SVMlight libSVM
Global 0.889* 0.873 0.876 0.676 0.792
EstateFP 0.852* 0.832 0.833 0.690 0.763
ExtFP 0.907* 0.896 0.892 0.669 0.874
KlekFP 0.907* 0.890 0.891 0.669 0.730
MACCSFP 0.898* 0.878 0.880 0.683 0.828
PubchemFP 0.901* 0.886 0.894 0.669 0.808
SubFP 0.869* 0.856 0.864 0.677 0.749
5-HT\(_\text {2A}\) 0.871* 0.848 0.860 0.683 0.743
5-HT\(_\text {2C}\) 0.855* 0.825 0.772 0.568 0.717
5-HT\(_\text {6}\) 0.916* 0.915 0.933 0.814 0.862
5-HT\(_\text {7}\) 0.833* 0.819 0.819 0.675 0.714
CDK2 0.885* 0.881 0.870 0.664 0.768
M\(_\text{1}\) 0.858 0.846 0.897* 0.557 0.748
ERK2 0.959 0.961* 0.961* 0.931 0.942
AChE 0.889* 0.857 0.872 0.611 0.764
A\(_\text {1}\) 0.856 0.838 0.882* 0.564 0.720
alpha2AR 0.880* 0.873 0.872 0.563 0.725
beta1AR 0.914* 0.870 0.864 0.710 0.828
beta3AR 0.879 0.825 0.972* 0.545 0.722
CB1 0.881* 0.857 0.868 0.622 0.793
DOR 0.897* 0.884 0.872 0.599 0.814
D\(_\text {4}\) 0.849* 0.838 0.837 0.698 0.745
H\(_\text {1}\) 0.904* 0.879 0.691 0.548 0.801
H\(_\text {3}\) 0.938* 0.926 0.919 0.897 0.905
HIVi 0.938 0.946 0.967* 0.901 0.911
IR 0.939 0.937 0.956* 0.886 0.897
ABL 0.857* 0.836 0.840 0.587 0.733
HLE 0.867* 0.871 0.864 0.578 0.779
  1. The highest values obtained among all strategies tested are marked with an asterisk sign