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Relative contributions of the ten descriptors to the structure -activity relationship in the MLR model and the NN11-1-1 model
| Descriptor | RDF010m | C-028 | Mor30u | HATS5m |
|---|---|---|---|---|
| R | 0.832 | 0.248 | 0.640 | −0.330 |
| MLR Ci(%) | 10.18 | 10.89 | 9.61 | 10.23 |
| NN Ci (%) | 9.41 | 10.58 | 9.06 | 9.51 |
| Descriptor | GATS6e | MATS1p | E2s | Mor15u |
| R | −0.229 | 0.543 | −0.059 | −0.430 |
| MLR Ci(%) | 9.74 | 10.56 | 10.22 | 9.62 |
| NN Ci (%) | 10.85 | 9.62 | 9.52 | 9.73 |
| Descriptor | R4v+ | IC1 | ||
| R | −0.642 | 0.276 | ||
| MLR Ci(%) | 9.49 | 9.45 | ||
| NN Ci (%) | 9.58 | 12.14 | ||
