| Adenosine Receptors Dataset |  | ||
---|---|---|---|---|
 |
| RMSEPint |
| RMSEPext |
GP Bessel | 0.64 | 0.70 | 0.70 | 0.63 |
GP Laplacian | 0.67 | 0.68 | 0.67 | 0.66 |
GP Norm. Polynomial (NP) | 0.69 | 0.65 | 0.75 | 0.58 |
GP Polynomial | 0.70 | 0.64 | 0.70 | 0.63 |
GP PUK | 0.57 | 0.79 | 0.56 | 0.77 |
GP Radial | 0.65 | 0.69 | 0.65 | 0.68 |
PLS | 0.29 | 0.97 | 0.30 | 1.00 |
SVM Norm. Polynomial (NP) | 0.70 | 0.64 | 0.73 | 0.60 |
SVM Polynomial | 0.71 | 0.63 | 0.71 | 0.62 |
SVM Radial | 0.68 | 0.65 | 0.70 | 0.64 |
Family QSAR | 0.31 | 0.70 | 0.31 | 0.96 |
 | Aminergic GPCRs Dataset |  | ||
 |
| RMSEP int |
| RMSEP ext |
GP Bessel | 0.56 | 0.83 | 0.56 | 0.80 |
GP Laplacian | 0.62 | 0.78 | 0.63 | 0.75 |
GP Norm. Polynomial (NP) | 0.69 | 0.68 | 0.72 | 0.66 |
GP Polynomial | 0.68 | 0.71 | 0.70 | 0.68 |
GP PUK | 0.46 | 0.93 | 0.46 | 0.90 |
GP Radial | 0.69 | 0.69 | 0.71 | 0.66 |
PLS | 0.69 | 0.69 | 0.27 | 1.05 |
SVM Norm. Polynomial (NP) | 0.69 | 0.68 | 0.72 | 0.66 |
SVM Polynomial | 0.69 | 0.69 | 0.71 | 0.66 |
SVM Radial | 0.69 | 0.69 | 0.72 | 0.66 |
Family QSAR | 0.38 | 0.98 | 0.38 | 0.97 |
 | Dengue virus NS3 proteases Dataset |  | ||
 |
| RMSEP int |
| RMSEP ext |
GP Bessel | 0.91 | 0.43 | 0.92 | 0.44 |
GP Laplacian | 0.88 | 0.54 | 0.91 | 0.50 |
GP Linear | 0.91 | 0.45 | 0.91 | 0.48 |
GP Norm. Polynomial (NP) | 0.88 | 0.50 | 0.91 | 0.48 |
GP Polynomial | 0.91 | 0.42 | 0.92 | 0.44 |
GP PUK | 0.77 | 1.10 | 0.81 | 1.13 |
GP Radial | 0.91 | 0.45 | 0.91 | 0.45 |
PLS | 0.90 | 0.45 | 0.91 | 0.49 |
SVM Norm. Polynomial (NP) | 0.86 | 0.54 | 0.91 | 0.46 |
SVM Polynomial | 0.89 | 0.46 | 0.90 | 0.51 |
SVM Radial | 0.90 | 0.48 | 0.90 | 0.48 |
Family QSAR | 0.29 | 1.19 | 0.48 | 1.13 |