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Table 5 Comparison of experimental predicted and residual of the data set

From: 2D QSAR, design, docking study and ADMET of some N-aryl derivatives concerning inhibitory activity against Alzheimer disease

S/No

Experimental pIC50

Predicted pIC50

Residual

D 1rm

0.2856

0.4118

− 0.1263

D 2rm

0.3222

0.2638

0.0584

D 3rm

0.3838

0.4081

− 0.0243

D 4rm

0.3856

0.5156

− 0.1300

D 5rm

0.4031

0.5995

− 0.1964

D 6rm

0.4378

0.4802

− 0.0424

D 7rm

0.5416

0.5466

− 0.0050

D 10rm

0.6425

0.5617

0.0807

D 11rm

0.6561

0.8118

− 0.1557

D 12rm

0.6875

0.7264

− 0.0389

D 13rm

0.6928

0.7285

− 0.0356

D 14rm

0.7490

0.5925

0.1564

D 15rm

0.8189

0.8142

0.0047

D 18rm

0.9170

0.5925

0.3245

D 19rm

0.9355

0.9357

− 0.0002

D 20rm

0.9818

0.7995

0.1824

D 23rm

0.1584

0.2012

− 0.0428

D 29rm

0.4698

0.7142

− 0.2444

D 30rm

0.4771

0.5778

− 0.1006

D 31rm

0.4843

0.5916

− 0.1073

D 32rm

0.5658

0.4350

0.1309

D 33rm

0.6212

0.7096

− 0.0884

D 34rm

0.6232

0.5165

0.1068

D 35rm

0.6325

0.6306

0.0019

D 36rm

0.6503

0.7301

− 0.0798

D 37rm

0.6580

0.6653

− 0.0073

D 38rm

0.6767

0.8792

− 0.2025

D 39rm

0.7490

0.5989

0.1501

D 40rm

0.7520

0.7989

− 0.0469

D 41rm

0.8910

0.8451

0.0459

D 42rm

0.9886

0.6653

0.3233

D 47rm

0.1271

0.2200

− 0.0929

D 48rm

0.3404

0.4729

− 0.1325

D 49rm

0.3692

0.3613

0.0079

D 50rm

0.8075

0.7105

0.0971

D 51rm

0.8235

0.8816

− 0.0581

D 52rm

0.8681

0.7905

0.0776

D 53rm

0.8751

0.8083

0.0668

D 54rm

0.9015

0.8909

0.0106

D 55rm

0.9069

0.9478

− 0.0410

D 56rm

0.9217

0.9913

− 0.0696

D 57rm

0.9279

0.8442

0.0837

D 58rm

0.9518

0.8594

0.0924

Dt 8rm

0.5798

0.4354

0.1444

Dt 16rm

0.8859

0.6642

0.2218

Dt 17rm

0.9106

0.8259

0.0847

Dt 24rm

0.2175

0.1157

0.1018

Dt 25rm

0.2175

0.2106

0.0069

Dt 26rm

0.2504

0.4266

− 0.1762

Dt 27rm

0.4487

0.7349

− 0.2862

Dt 28rm

0.4533

0.5813

− 0.1280

Dt 70rm

0.7789

0.6625

0.1164

Dt 71rm

0.7938

0.6074

0.1864

Dt 72rm

0.8407

0.9040

− 0.0633

Dt 73rm

0.8531

0.8816

− 0.0285

Dt 74rm

0.8727

0.6200

0.2528

Dt 77rm

0.9509

0.7484

0.2025

Dt 78rm

0.9657

1.0178

− 0.0521