| R2 |
R2CV |
F |
X+DX |
t-Test |
Descriptors |
| 0.8142 |
0.7733 |
55.50 |
6.0388e+01 6.3153e+00 |
9.5622 |
Intercept(A) |
| |
|
|
-1.3840e+01 1.5885e+00 |
-8.7129 |
Avgvalency of a C atom(B) |
| |
|
|
-1.2775e+01 1.7259e+00 |
-7.4017 |
Relative number of double bonds(C) |
| |
|
|
-1.9631e-02 2.5005e-03 |
-7.8508 |
Molecular volume(D) |
| |
|
|
4.9342e-01 1.0389e-01 |
4.7492 |
HOMO-1 energy(E) |
| |
|
|
-5.9297e-01 1.2477e-01 |
-4.7492 |
HOMO energy(F) |
| |
|
|
-2.2411e+00 6.0338e-01 |
-3.7143 |
Average structural information content(order 1)(G) |
1, Avg valency of a C atom;2, Relative number of double bonds;3, PPSA-3
Molecular volume;4, HOMO-1 energy;5, HOMO energy;6, Average Structural
Information content (order 1);
The fitted regression model is: logEC50 = (6.0388e+01 6.3153e+00)*A+(-
1.3840e+01 1.5885e+00)*B+(-1.2775e+01 1.7259e+00)*C+(-1.9631e-02
2.5005e-03)*D+(4.9342e-01 1.0389e-01)*E+(-5.9295e-01 1.2477e-01)*F+(-
2.2411e+00 6.0338e-01)*G |
