From: Can human experts predict solubility better than computers?
Compound | ML error | Human error | Difference |
---|---|---|---|
4-Aminobenzoic acid | 0.07 | 0.13 | − 0.06 |
4-Aminosalicylic acid | 0.23 | 0.76 | − 0.53 |
Antipyrine | 3.73 | 2.98 | 0.75 |
Chloramphenicol | 0.35 | 0.39 | − 0.04 |
Corticosterone | 0.11 | 0.06 | 0.05 |
Dapsone | 0.54 | 0.29 | 0.25 |
Primidone | 0.06 | 0.14 | − 0.08 |
Estrone | 0.87 | 0.82 | 0.05 |
Alclofenac | 0.30 | 0.12 | 0.18 |
5-Fluorouracil | 0.46 | 0.62 | − 0.16 |
Griseofulvin | 0.44 | 0.25 | 0.19 |
Fluometuron | 0.53 | 0.04 | 0.49 |
Fluconazole | 1.09 | 0.70 | 0.39 |
Khellin | 0.17 | 0.98 | − 0.81 |
Clozapine | 1.37 | 0.71 | 0.66 |
Norethisterone | 0.63 | 0.63 | 0.00 |
Nicotinic acid | 0.58 | 0.35 | 0.23 |
Perphenazine | 0.16 | 0.16 | 0.00 |
Pteridine | 2.22 | 3.02 | − 0.80 |
Salicylamide | 0.23 | 0.49 | − 0.26 |
Sulfanilamide | 0.54 | 0.14 | 0.40 |
Gliclazide | 1.03 | 0.80 | 0.23 |
Trihexyphenidyl | 1.98 | 1.45 | 0.53 |
Triphenylene | 0.15 | 0.27 | − 0.12 |
Mifepristone | 1.57 | 2.00 | − 0.43 |
Average | 0.778 | 0.732 | 0.046 |