Table 9 Top five important descriptors selected by three blending methods
Uniform blending | Linear blending | ||
|---|---|---|---|
Selected descriptors | Feature importance | Selected descriptors | Feature importance |
HeavyAtomCount | 0.05993 | HeavyAtomCount | 0.04781 |
NumRotatableBonds | 0.04803 | NumRotatableBonds | 0.04219 |
wing2_HeavyAtomCount | 0.03827 | wing2_HeavyAtomCount | 0.03471 |
mesogen_HeavyAtomCount | 0.03484 | wing1_HeavyAtomCount | 0.03006 |
wing1_HeavyAtomCount | 0.03290 | fr_unbrch_alkane | 0.02897 |
Any blending | |||
|---|---|---|---|
Selected descriptors | Feature importance | ||
HeavyAtomCount | 0.06520 | ||
NumRotatableBonds | 0.05236 | ||
wing2_HeavyAtomCount | 0.04321 | ||
wing1_HeavyAtomCount | 0.03636 | ||
mesogen_HeavyAtomCount | 0.03556 | ||