Table 6.
Selected QSAR equations along with their statistical parameters
| Equation No. | Regression equation | Regression parameters |
||||
|---|---|---|---|---|---|---|
| n | r2 | S | F | |||
| 1 | pKi | = 0.065139(±0.058625)log P + 0.225557(± 0.106054)Pol - 0.07389(±0.040898)MR + 0.006774(±0.00605)MW - 0.04197(±0.249617)Chi V0 + 1.481678(±0.282038) | 27 | 0.9416 | 0.2238 | 67.7094 |
| 2 | pKi | = 0.097351(± 0.061619)log P + 0.115992(±0.078925)Pol - 0.04725(±0.035163)MR + 0.071835(± 0.112279)RTI + 0.203(± 0.086313)Chi V0 + 1.546012(± 0.284027) | 27 | 0.9393 | 0.2282 | 64.9809 |
| 3 | pKi | = 0.085488(± 0.06874)log P + 0.132932(± 0.095141)Pol - 0.04636(±0.055487)MR - 0.0004(± 0.00632)MV + 0.222009(± 0.083387)Chi V0 + 1.538643(± 0.292985) | 27 | 0.9381 | 0.2304 | 63.6713 |
| 4 | pKi | = 0.091019(± 0.057105)log P + 0.109206(± 0.075616)Pol - 0.03832(± 0.036033) MR + 0.000421(± 0.000405)P + 0.198072(± 0.082704)Chi V0 + 1.6109(±0.288627) | 27 | 0.9411 | 0.2247 | 67.1453 |
| 5 | pKi | = 0.067609(±0.055487)log P + 0.214947(±0.083334)Pol - 0.07168(±0.037871)MR + 0.005809(±0.001866)MW + 1.47848(±0.275111) | 27 | 0.9415 | 0.2188 | 88.5405 |
| 6 | pKi | =0.083143(±0.056701)log P + 0.136846(±0.070908)Pol - 0.04908(±0.034573) MR + 0.223251(±0.079215)Chi V0 + 1.534652(±0.27964) | 27 | 0.9381 | 0.2251 | 83.3619 |
| 7 | pKi | = 0.112048(±0.060279)log P + 0.089433(±0.022379)Pol + 0.004485(±0.001479) MW - 0.0069(±0.00429)MV + 1.653769(±0.234532) | 27 | 0.9391 | 0.2232 | 84.8678 |
| 8 | pKi | = 0.097624(±0.062941)log P + 0.032039(±0.033)Pol + 0.002562(±0.001305)MW + 0.096367(±0.111046)RTI + 1.819982(±0.216287) | 27 | 0.9342 | 0.2320 | 78.1386 |
| 9 | pKi | = 0.088246(±0.057114)log P + 0.047976(±0.013662)Pol + 0.002864(±0.001167) MW + 0.000584(±0.000386)P + 1.848973(±0.209555) | 27 | 0.9384 | 0.2246 | 83.8003 |
| 10 | pKi | = 0.109937(±0.061772)log P + 0.055949(±0.023558)Pol + 0.177963 (±0.064165)Chi V0 - 0.00447(±0.004002)MV + 1.675138(±0.241538) | 27 | 0.9361 | 0.2288 | 80.5195 |
| 11 | pKi | = 0.101603(±0.062654)log P + 0.01935(±0.033108)Pol + 0.121149(± 0.062267) Chi V0 + 0.084089(±0.113939)RTI + 1.787309(±0.224063) | 27 | 0.9341 | 0.2323 | 77.9202 |
| 12 | pKi | = 0.094707(±0.057169)log P + 0.031366(±0.019038)Pol + 0.131955(±0.054703) Chi V0 + 0.000544(±0.000389)P + 1.812581(±0.218223) | 27 | 0.938 | 0.2254 | 83.154 |