Table 2. Best fitted 3 and 4 parameter models, ranked by R2 values. 4 parameter models are fitted with a small subset.
No. des. | Descriptors |
R 2 | |||
3 | ALOGPs | ALOGPs-sq | Mv | — | 0.7901 |
3 | ALOGPs | ALOGPs-sq | J3D | — | 0.7892 |
3 | ALOGPs | ALOGPs-sq | Mp | — | 0.7836 |
3 | ALOGPs | ALOGPs-sq | nH | — | 0.7822 |
3 | ALOGPs | ALOGPs-sq | AMW | — | 0.7768 |
3 | ALOGPs | ALOGPs-sq | J | — | 0.7680 |
3 | ALOGPs | ALOGPs-sq | E3u | — | 0.7672 |
3 | ALOGPs | ALOGPs-sq | ARR | — | 0.7654 |
3 | ALOGPs | ALOGPs-sq | Density (g cm–3) | — | 0.7615 |
3 | ALOGPs | ALOGPs-sq | Surface tension (dyne cm–1) | — | 0.7571 |
4 | ALOGPs | ALOGPs-sq | nCIC | J3D | 0.8160 |
4 | ALOGPs | ALOGPs-sq | nH | J | 0.8152 |
4 | ALOGPs | ALOGPs-sq | AMW | J | 0.8151 |
4 | ALOGPs | ALOGPs-sq | AMW | J3D | 0.8141 |
4 | ALOGPs | ALOGPs-sq | J3D | Ui | 0.8140 |
4 | ALOGPs | ALOGPs-sq | Density (g cm–3) | J3D | 0.8138 |
4 | ALOGPs | ALOGPs-sq | Density (g cm–3) | J | 0.8121 |
4 | ALOGPs | ALOGPs-sq | Parachor (cm3) | nH | 0.8099 |
4 | ALOGPs | ALOGPs-sq | Molar refractivity (cm3) | nH | 0.8085 |
4 | ALOGPs | ALOGPs-sq | Polarizability (cm3) | nH | 0.8084 |