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Table 12 A summary of the real-valued ranges of activity for datasets used in regression experiments.

From: Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization

Dataset Dataset Full Name Size Range Units Reference
ACE Angiotensin Converting Enzyme 114 [2.1, 9.9] pIC50 [6][26]
AChE Acetylcholinesterase 111 [4.3, 9.5] pIC50 [6]
AR Androgen Receptor 146 [−3.56, 2.27] logRBA [18]
BZR Benzodiazepine Receptor 163 [5.5, 8.9] pIC50 [6]
Cox2 Cyclooxygenase-2 282 [4.0, 9.0] pIC50 [6]
DHFR Dihydrofolate Reductase 397 [3.3, 9.8] pIC50 [6]
ER Estrogen Receptor 131 [−4.50, 2.60] logRBA [16][17]
GPB Glycogen Phosphorylase B 66 [1.3, 6.8] pK i [6][27]
Therm Thermolysin 76 [0.5, 10.2] pK i [6][26]
Thr Thrombin 88 [4.4, 8.5] pK i [6][28]