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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