Table 2.
Regression models for enthalpy of molecular structures.
| Enthalpy | ||||
|---|---|---|---|---|
| Regression model | Molecular descriptor | R 2 | F | Sig |
| Quadratic model | ABC(G) | 0.968 | 75.655 | 0.000 |
| RA(G) | 0.960 | 60.135 | 0.000 | |
| S(G) | 0.959 | 58.803 | 0.000 | |
| GA(G) | 0.959 | 58.458 | 0.000 | |
| H(G) | 0.950 | 47.272 | 0.000 | |
| HM(G) | 0.974 | 94.975 | 0.000 | |
| F(G) | 0.981 | 127.722 | 0.000 | |
|
| ||||
| Cubic model | ABC(G) | 0.967 | 73.368 | 0.000 |
| RA(G) | 0.963 | 64.170 | 0.000 | |
| S(G) | 0.962 | 63.173 | 0.000 | |
| GA(G) | 0.962 | 62.761 | 0.000 | |
| H(G) | 0.958 | 56.399 | 0.000 | |
| HM(G) | 0.974 | 92.196 | 0.000 | |
| F(G) | 0.980 | 120.050 | 0.000 | |
|
| ||||
| Logarithmic model | ABC(G) | 0.710 | 14.666 | 0.009 |
| RA(G) | 0.617 | 9.663 | 0.000 | |
| S(G) | 0.644 | 10.848 | 0.017 | |
| GA(G) | 0.669 | 12.116 | 0.013 | |
| H(G) | 0.583 | 8.394 | 0.027 | |
| HM(G) | 0.705 | 14.331 | 0.009 | |
| F(G) | 0.692 | 13.465 | 0.010 | |
|
| ||||
| Exponential model | ABC(G) | 0.779 | 21.127 | 0.004 |
| RA(G) | 0.700 | 13.982 | 0.010 | |
| S(G) | 0.728 | 16.043 | 0.007 | |
| GA(G) | 0.754 | 18.415 | 0.005 | |
| H(G) | 0.670 | 12.161 | 0.013 | |
| HM(G) | 0.783 | 21.636 | 0.003 | |
| F(G) | 0.771 | 20.150 | 0.004 | |