Calon descriptor

1. SA
2. LOG P
3. MOMEN DIPOLE
4. HOMO
5. HF

KOMBINASI:

KOMBINASI R

LOG_P, Momen Dipole, HOMO 0.712

LOG P, SA, HOMO 0.868
LOG P, HF, HOMO 0.758
LOG P, Momen dipol, SA 0.816
Homo, HF, SA 0.940

Persamaan:

LogIC50= 1.537 + (0.201 x HOMO) + ( 8.758E-5 x HF) + (0.004 x SA)

R = 0.940

Fhitung = 5.049

Ftabel = 19.16429

Fhit/Ftabel= 5.049/19.16429

=0.263

Q2 = -320.215

-Modif C2H5

LogIC50= 1.537 + (0.201 x HOMO) + ( 8.758E-5 x HF) + (0.004 x SA)

LogIC50= 1.537 + (0.201 x -7.64806) + ( 8.758E-5 x -15060.13551) + (0.004 x 755.37)

LogIC50= 1.537 + (-1,5372 + -1,3177 + 3.02148)

= 1.537 + 0.16658

= 1.70358

Antilog = 50.53357226
-modif CH3

LogIC50= 1.537 + (0.201 x HOMO) + ( 8.758E-5 x HF) + (0.004 x SA)

LogIC50= 1.537 + (0.201 x -8.22142) + ( 8.758E-5 x -12546.4884) + (0.004 x 685.98)

= 1.537 + (-1.6525 + -10,97817 + 2.74392)

= 1.537 + -9.88675

= -8.34975

Antilog = 4.47E-09