Skip to main content

Table 1 Comparison of models for the public dataset

From: Self organising hypothesis networks: a new approach for representing and structuring SAR knowledge

Cross validation using the public dataset (8201 structures)
Fragments BAC SEN SPEC PPV NPV
SOHN 0.78 0.78 0.78 0.79 0.78
Random Forest 0.79 0.83 0.76 0.78 0.76
SVM 0.81 0.82 0.81 0.82 0.81
kNN 0.76 0.73 0.80 0.79 0.80
Decision Tree 0.77 0.76 0.79 0.79 0.79
  1. BAC = balanced accuracy, SEN = sensitivity, SPEC = specificity, PPV = positive predictivity, NPV = negative predictivity.