Table 2. QSAR Models of the Peptides as ACE Inhibitors Obtained Using Different Sets of the AA Indices.
number of used AA indices | Rtraining2 | Rtest2 | qloo2 | qlmo2 | RSMEtraining | RSMEtest | RMP2a |
---|---|---|---|---|---|---|---|
2 | 0.829 | 0.801 | 0.797 | 0.788 | 0.266 | 0.376 | 0.150 |
3 | 0.830 | 0.826 | 0.806 | 0.803 | 0.265 | 0.341 | 0.217 |
4 | 0.843 | 0.852 | 0.814 | 0.814 | 0.255 | 0.265 | 0.121 |
5 | 0.849 | 0.842 | 0.822 | 0.819 | 0.250 | 0.317 | 0.176 |
6 | 0.845 | 0.844 | 0.818 | 0.816 | 0.253 | 0.314 | 0.104 |
7 | 0.855 | 0.859 | 0.831 | 0.830 | 0.245 | 0.302 | 0.160 |
8 | 0.855 | 0.861 | 0.831 | 0.829 | 0.245 | 0.295 | 0.099 |
Maximum Rtraining2 for the Y-randomization test.