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Table 4 A summary of the datasets used in classification experiments. † The range and threshold information was not provided in [2] and [3] for the BBB and FXa datasets, respectively.

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

Dataset Dataset Full Name Size N + N Range θ Units Reference
AR Androgen Receptor 202 146 56 [<−3.56, 2.27] −3.56 logRBA [24][18]
BBB Blood Brain Barrier 415 276 139 pK i [2]
BZR Benzodiazepine Receptor 405 230 175 [<4.2, 9.5] 7.0 pIC50 [1]
Cox2 Cyclooxygenase 2 467 273 194 [<4.0, 9.0] 6.5 pIC50 [1][25]
DHFR Dihydrofolate Reductase 756 302 454 [<3.0, 10.5] 6.0 pIC50 [1]
ER Estrogen Receptor 232 131 101 [<−4.50, 2.60] −4.50 logRBA [24][17][16]
FXa Factor Xa 435 279 156 pK i [3]