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Table 1 Description of selected problems

From: An automated framework for QSAR model building

Uniprot ID

Target protein name

Associated bioactivities (Y)

Total number of observations (N-retrieved)

Total number of observations (N-processed)

Q05586

Glutamate [NMDA] receptor

IC50

512

320

Q99720

Sigma non-opioid intracellular receptor 1 (Sigma1R)

IC50

1895

762

Q99720

Sigma non-opioid intracellular receptor 1 (Sigma1R)

Ki

2584

1465

CHEMBL613288 (Uniprot ID NA.)

Sigma non-opioid intracellular receptor 2 (Sigma2R)

Ki

553

497

P08588

Beta-1 adrenergic receptor (ADRB1)

IC50

1471

599

P07550

Beta-2 adrenergic receptor (ADRB2)

IC50

1424

554

P13945

Beta-3 adrenergic receptor (ADRB3)

EC50

1478

1227

P35348

Alpha-1A adrenergic receptor

Ki

1650

1260

P35368

Alpha-1b adrenergic receptor

Ki

1567

1260

P25100

Alpha-1D adrenergic receptor

Ki

2076

1060

P35367

Histamine H\(_1\) receptor (HRH1)

Ki

2239

1222

P25021

Histamine H\(_2\) receptor (HRH2)

Ki

1218

385

Q9Y5N1

Histamine H\(_3\) receptor (HRH3)

Ki

3799

3101

Q9H3N8

Histamine H\(_4\) receptor (HRH4)

Ki

1486

1095

Q12809

Potassium voltage-gated channel subfamily H member 2 (HERG)

Ki

2539

1481

P21728

D(1A) dopamine receptor (DRD1)

Ki

2244

1087

P14416

D(2) dopamine receptor (DRD2)

IC50

1667

725

P35462

D(3) dopamine receptor (DRD3)

IC50

1174

326

P21917

D(4) dopamine receptor (DRD4)

Ki

3409

1900

P21918

D(1B) dopamine receptor (DRD5)

Ki

529

341

P47898

5-Hydroxytryptamine receptor 5A

Ki

382

302

P50406

5-Hydroxytryptamine receptor 6

Ki

4084

2632

P46098

5-Hydroxytryptamine receptor 3A

Ki

517

432

P28222

5-Hydroxytryptamine receptor 1B

Ki

1129

938

P41595

5-Hydroxytryptamine receptor 2B

Ki

2034

1149

P28335

5-Hydroxytryptamine receptor 2C

Ki

3433

2157

P28221

5-Hydroxytryptamine receptor 1D

Ki

1153

973

P08908

5-Hydroxytryptamine receptor 1A

Ki

4008

3244

Q13639

5-Hydroxytryptamine receptor 4

Ki

540

422

P34969

5-Hydroxytryptamine receptor 7

Ki

1753

1438