From: Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods
Model | Predictive accuracy | Subset cardinality | #Frequent descriptors | #Descriptors shared with other model |
---|---|---|---|---|
M1 (ALOGP, Mor29u, AMW, Se, Pol) | R2 = 0.81 MAE = 0.15 RMSE = 0.20 | 5 | 2 | 2 |
M2 (ALOGP, SP15, RDF015v, RDF020e, H6v) | R2 = 0.76 MAE = 0.17 RMSE = 0.23 | 5 | 1 | 1 |
M3 (ALOGP, Mor29u, X4Av, ESpm15,Mor31e, Ui) | R2 = 0.79 MAE = 0.16 RMSE = 0.21 | 6 | 3 | 3 |
M4 (ALOGP, Mor29u, X4Av, DP06, QZZv, Mor02v, F01[C–C]) | R2 = 0.79 MAE = 0.16 RMSE = 0.21 | 7 | 3 | 3 |