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Table 6 The 25 test set compounds ranked by the average of the absolute prediction errors of the two consensus predictors (mean absolute median error, MAME)

From: Can human experts predict solubility better than computers?

Compound Log S ML median Error Human median Error MAME NC
Corticosterone − 3.24 − 3.13 0.11 − 3.30 − 0.06 0.09 22
4-Aminobenzoic acid − 1.37 − 1.44 − 0.07 − 1.50 − 0.13 0.10 26
Primidone − 2.64 − 2.70 − 0.06 − 2.50 0.14 0.10 23
Perphenazine − 4.16 − 4.32 − 0.16 − 4.00 0.16 0.16 16
Alclofenac − 3.13 − 2.83 0.30 − 3.25 − 0.12 0.21 18
Triphenylene − 6.73 − 6.58 0.15 − 7.00 − 0.27 0.21 19
Fluometuron − 3.46 − 2.93 0.53 − 3.50 − 0.04 0.29 19
Sulfanilamide − 1.36 − 1.90 − 0.54 − 1.50 − 0.14 0.34 23
Griseofulvin − 3.25 − 2.81 0.44 − 3.00 0.25 0.35 15
Salicylamide − 1.84 − 1.61 0.23 − 1.35 0.49 0.36 20
Chloramphenicol − 2.11 − 2.46 − 0.35 − 2.50 − 0.39 0.37 20
Dapsone − 3.09 − 3.63 − 0.54 − 2.80 0.29 0.42 18
Nicotinic acid − 0.85 − 1.43 − 0.58 − 1.20 − 0.35 0.47 20
4-Aminosalicylic acid − 1.96 − 1.73 0.23 − 1.20 0.76 0.49 21
5-Fluorouracil − 1.03 − 1.49 − 0.46 − 1.65 − 0.62 0.54 23
Khellin − 3.02 − 3.19 − 0.17 − 4.00 − 0.98 0.58 18
Norethisterone − 4.63 − 4.00 0.63 − 4.00 0.63 0.63 15
Estrone − 5.32 − 4.45 0.87 − 4.50 0.82 0.85 14
Fluconazole − 1.80 − 2.89 − 1.09 − 2.50 − 0.70 0.90 15
Gliclazide − 4.29 − 3.26 1.03 − 3.49 0.80 0.91 11
Clozapine − 3.24 − 4.61 − 1.37 − 3.95 − 0.71 1.04 13
Trihexyphenidyl − 5.20 − 3.22 1.98 − 3.75 1.45 1.72 6
Mifepristone − 5.90 − 4.33 1.57 − 3.90 2.00 1.79 4
Pteridine 0.02 − 2.20 − 2.22 − 3.00 − 3.02 2.62 2
Antipyrine 0.48 − 3.25 − 3.73 − 2.50 − 2.98 3.35 0