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Table 1 Optimal parameter values for MARS [28], kNN [29], SVM [30], RF [31], and BRT [32] models.

From: Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins

Model Parameter Feature set
   X A R G XA XR XG AR AG RG XAR XAG XRG ARG XARG
MARS Degree 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1
  Penalty 2 6 5 6 7 2 6 7 6 5 6 7 6 5 6
kNN k 15 13 14 16 9 19 17 19 18 17 18 19 17 18 19
  q 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
SVM C 2 2 1 1 1 4 1 2 2 1 1 2 2 1 2
  ε 0.5 0 0.250 0.250 0.125 0.125 0.250 0.250 0.250 0.125 0.250 0.125 0.125 0.125 0.250
  σ 1 0.25 0.125 0.250 0.250 0.031 0.031 0.031 0.125 0.031 0.125 0.031 0.031 0.031 0.031
RF mtry 3 18 8 7 31 5 8 10 16 17 14 20 21 25 35
BRT Interaction depth 15 17 18 16 19 15 18 19 17 16 16 20 18 17 20
  Number of trees 1114 1523 1573 1208 1371 2113 1610 2950 2181 2303 2213 2590 2854 2921 2859