Target protein name | Total number of observations (N-processed) | Total number of features (F) | PVE (IVS) | RMSE (IVS) | |||||
---|---|---|---|---|---|---|---|---|---|
Training set | IVS | Full model without feature delection | Final model with feature selection | Full model without feature selection | Final model with feature selection | ||||
Full-model | SF-model (VI)1 | SF-model (VI)2 | Full-model | SF-model (VI)1 | SF-model (VI)2 | ||||
Glutamate [NMDA] receptor | 240 | 80 | 949 | 0.30 | 0.69 | 0.73 | 0.25 | 0.17 | 0.16 |
Sigma non-opioid intracellular receptor 1 (Sigma1R) | 572 | 190 | 1079 | 0.31 | 0.47 | 0.40 | 0.21 | 0.19 | 0.20 |
Sigma non-opioid intracellular receptor 1 (Sigma1R) | 1099 | 366 | 1117 | 0.45 | 0.60 | 0.61 | 0.21 | 0.18 | 0.17 |
Sigma non-opioid intracellular receptor 2 (Sigma2R) | 373 | 124 | 875 | 0.46 | 0.57 | 0.61 | 0.16 | 0.14 | 0.14 |
Beta-1 adrenergic receptor (ADRB1) | 450 | 149 | 1040 | 0.41 | 0.72 | 0.71 | 0.19 | 0.13 | 0.13 |
Beta-2 adrenergic receptor (ADRB2) | 416 | 138 | 1032 | 0.46 | 0.70 | 0.69 | 0.21 | 0.16 | 0.16 |
Beta-3 adrenergic receptor (ADRB3) | 921 | 306 | 1093 | 0.37 | 0.56 | 0.55 | 0.21 | 0.17 | 0.18 |
Alpha-1A adrenergic receptor | 945 | 315 | 1108 | 0.53 | 0.67 | 0.66 | 0.21 | 0.18 | 0.18 |
Alpha-1b adrenergic receptor | 945 | 315 | 1106 | 0.48 | 0.65 | 0.62 | 0.18 | 0.15 | 0.16 |
Alpha-1D adrenergic receptor | 795 | 265 | 1109 | 0.47 | 0.65 | 0.66 | 0.21 | 0.17 | 0.17 |
Histamine H\(_1\) receptor (HRH1) | 917 | 305 | 1116 | 0.59 | 0.72 | 0.76 | 0.21 | 0.17 | 0.16 |
Histamine H\(_2\) receptor (HRH2) | 289 | 96 | 1037 | 0.13 | 0.32 | 0.33 | 0.14 | 0.13 | 0.13 |
Histamine H\(_3\) receptor (HRH3) | 2326 | 775 | 1134 | 0.46 | 0.63 | 0.63 | 0.19 | 0.16 | 0.16 |
Histamine H\(_4\) receptor (HRH4) | 822 | 273 | 1075 | 0.34 | 0.56 | 0.55 | 0.22 | 0.18 | 0.18 |
Potassium voltage-gated channel subfamily H member 2 (HERG) | 1111 | 370 | 1132 | 0.42 | 0.54 | 0.55 | 0.17 | 0.15 | 0.15 |
D(1A) dopamine receptor (DRD1) | 816 | 271 | 1118 | 0.50 | 0.68 | 0.70 | 0.21 | 0.17 | 0.16 |
D(2) dopamine receptor (DRD2) | 544 | 181 | 1092 | 0.51 | 0.63 | 0.62 | 0.21 | 0.18 | 0.19 |
D(3) dopamine receptor (DRD3) | 245 | 81 | 1054 | 0.32 | 0.58 | 0.61 | 0.24 | 0.19 | 0.18 |
D(4) dopamine receptor (DRD4) | 1425 | 475 | 1124 | 0.47 | 0.63 | 0.62 | 0.20 | 0.17 | 0.17 |
D(1B) dopamine receptor (DRD5) | 256 | 85 | 957 | 0.56 | 0.76 | 0.77 | 0.20 | 0.15 | 0.15 |
5-Hydroxytryptamine receptor 5A | 227 | 75 | 980 | 0.58 | 0.87 | 0.84 | 0.22 | 0.12 | 0.13 |
5-Hydroxytryptamine receptor 6 | 1974 | 658 | 1132 | 0.48 | 0.68 | 0.67 | 0.20 | 0.16 | 0.16 |
5-Hydroxytryptamine receptor 3A | 324 | 108 | 1045 | 0.41 | 0.71 | 0.71 | 0.27 | 0.19 | 0.19 |
5-Hydroxytryptamine receptor 1B | 704 | 234 | 1103 | 0.45 | 0.75 | 0.76 | 0.23 | 0.16 | 0.15 |
5-Hydroxytryptamine receptor 2B | 862 | 287 | 1130 | 0.31 | 0.37 | 0.39 | 0.20 | 0.19 | 0.19 |
5-Hydroxytryptamine receptor 2C | 1618 | 539 | 1135 | 0.48 | 0.62 | 0.62 | 0.21 | 0.18 | 0.17 |
5-Hydroxytryptamine receptor 1D | 730 | 243 | 1112 | 0.49 | 0.76 | 0.77 | 0.24 | 0.18 | 0.18 |
5-Hydroxytryptamine receptor 1A | 2433 | 811 | 1134 | 0.43 | 0.65 | 0.66 | 0.21 | 0.17 | 0.17 |
5-Hydroxytryptamine receptor 4 | 317 | 105 | 948 | 0.35 | 0.66 | 0.71 | 0.26 | 0.22 | 0.20 |
5-Hydroxytryptamine receptor 7 | 1079 | 359 | 1122 | 0.43 | 0.59 | 0.61 | 0.21 | 0.18 | 0.17 |