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Table 1 AUC for 4-fold cross-validations

From: Predicting drug–drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge

Score set Scores Included information Average AUC SD
Set 1 Sd, Se, Seg, Str, Strg, Sta, Stag DR + PK + PD 0.837 0.005
Set 2 Se, Str, Sta (PK + PD)_nog 0.837 0.009
Set 3 Se, Seg, Str, Strg, Sta, Stag PK + PD 0.834 0.012
Set 4 Sd, Se, Str, Sta DR + (PK + PD)_nog 0.834 0.005
Set 5 Sd, Se, Seg, Sta, Stag DR + PKe + PD 0.828 0.006
Set 6 Se, Seg, Sta, Stag PKe + PD 0.827 0.008
Set 7 max(Sd, Se, Seg, Str, Strg, Sta, Stag) Maximum score in the whole network 0.786 0.012
Set 8 Str, Strg, Sta, Stag PKtr + PD 0.741 0.009
Set 9 Sd, Str, Strg, Sta, Stag DR + PKtr + PD 0.736 0.005
Set 10 Sd, Se, Seg, Str, Strg DR + PK 0.672 0.006
Set 11 Se, Seg, Str, Strg PK 0.657 0.007
Set 12 Sd, Str, Strg DR + PKtr 0.653 0.008
Set 13 Str, Strg PKtr 0.631 0.019
Set 14 Sta, Stag PD 0.627 0.005
Set 15 Sta PD_nog 0.620 0.008
Set 16 Sd, Se, Seg DR + PKe 0.619 0.002
Set 17 Sd, Sta, Stag DR + PD 0.617 0.003
Set 18 Str PKtr_nog 0.616 0.015
Set 19 Sd DR 0.601 0.007
Set 20 Se, Seg PKe 0.593 0.009
Set 21 Se Pke_nog 0.587 0.009
  1. (PK + PD)_nog, PK and PD information without genetic information; DR, direct similarity score; PKe, PK with only enzyme information; PKtr, PK with only transporter information; SD, standard deviation