分子结构描述符 | 方差 | 均值 | 最大值 | 最小值 | 中位数 | 1/4分位数 | 3/4分位数 |
nAcid | 0.12103416 | 0.108409 | 4 | 0 | 0 | 0 | 0 |
ALogP | 2.05707373 | 1.110164 | 5.1817 | −23.105 | 1.17095 | 0.3763 | 1.9481 |
ALogp2 | 164.683756 | 3.288495 | 533.841 | 3.6E−07 | 1.56025081 | 0.40525983 | 4.018823 |
AMR | 996.504243 | 116.5571 | 517.4294 | 54.067 | 114.8375 | 88.3037 | 141.4237 |
apol | 378.292691 | 60.62647 | 359.6627 | 30.66193 | 59.901376 | 44.432102 | 74.42138 |
naAromAtom | 26.5828256 | 15.44681 | 30 | 0 | 16 | 12 | 18 |
nAromBond | 31.7562802 | 16.18946 | 34 | 0 | 18 | 12 | 18 |
nAtom | 327.218497 | 50.7619 | 343 | 21 | 50 | 36.25 | 62 |
nHeavyAtom | 65.1875486 | 28.11246 | 163 | 14 | 28 | 21 | 34 |
nH | 116.111209 | 22.64944 | 180 | 5 | 22 | 14 | 29 |