Table 5 Number of pharmacophores (Phar.), SEC and PADs for each fold. Cumulative presence of the PADs in the folds

Phar

98,053

92,727

77,346

92,742

105,875

95,596

108,556

90,708

91,588

93,638

SEC

14,257

14,278

13,836

13,717

14,058

13,529

13,378

13,415

13,547

13,791

PADs

153/199

168/173

174/144

152/122

130/126

117/149

126/148

130/208

127/180

115/169

Presence of the PADs in the folds (cumulative: at least x folds)

x fold

10

9

8

7

6

5

4

3

2

1

Pertinence ≥ 1.64

26

70

111

146

192

225

261

304

349

364

Pertinence ≤ -1.64

14

33

60

101

139

194

221

268

355

481