Table 1 Main statistics of ADME activity values in logarithmic scale. The abbreviatons N, 25%, 50%, 75% stand for number of compounds, \(25^{th}\), \(50^{th}\), and \(75^{th}\) percentiles
From: Understanding predictions of drug profiles using explainable machine learning models
Sol | MDR1 | rPPB | hPPB | RLM | HLM | |
|---|---|---|---|---|---|---|
N | 2,173 | 2,642 | 885 | 1,808 | 3,054 | 3,087 |
Mean | 1.267 | 0.399 | 0.715 | 0.636 | 2.253 | 1.309 |
Std | 0.668 | 0.681 | 0.750 | 0.719 | 0.751 | 0.625 |
Min | -1 | -1.046 | -1.403 | -1.593 | 0 | 0 |
25% | 1.130 | -0.157 | 0.211 | 0.164 | 1.691 | 0.675 |
50% | 1.546 | 0.156 | 0.781 | 0.659 | 2.320 | 1.183 |
75% | 1.681 | 0.903 | 1.278 | 1.170 | 2.831 | 1.802 |
Max | 2.179 | 2.725 | 2 | 2 | 3.969 | 3.339 |