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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