Laporan Praktikum Kimia Medisinal

“HKSA 2”

Muhammad Gian Fahrozi

191FF03063
2 FA 2
Kelompok 5

Universitas Bhakti Kencana

JalanSoekarno-Hatta No. 754, CipadungKidul, Panyileukan,
Kota Bandung, West Java
40614
SENYAWA INDUK

DATA SIFAT FISIKOKIMIA SENYAWA TURUNAN

Calon Deskriptor

Model Summary

Model R R Square Adjusted R Std. Error of the

Square Estimate

1 .856a .732 .240 .7108826533

b
2 .854 .729 .342 .6616049277
c
3 .849 .721 .408 .6276821171
d
4 .847 .718 .468 .5950096756
e
5 .816 .666 .432 .6144515939
f
6 .793 .629 .426 .6179686702
g
7 .778 .606 .442 .6095159301
h
8 .771 .594 .470 .5939970352
i
9 .742 .550 .454 .6028667776
j
10 .697 .485 .416 .6230435930
k
11 .671 .450 .416 .6234541548

a. Predictors: (Constant), Exact_Mass, MD, HOMO, LogP, E_Ele,

LogS, Entalpi, Entropi, LUMO, MR, E_total
b. Predictors: (Constant), Exact_Mass, MD, HOMO, LogP, E_Ele,
LogS, Entalpi, Entropi, LUMO, MR
c. Predictors: (Constant), MD, HOMO, LogP, E_Ele, LogS, Entalpi,
Entropi, LUMO, MR
d. Predictors: (Constant), MD, HOMO, LogP, E_Ele, LogS, Entalpi,
LUMO, MR
e. Predictors: (Constant), MD, HOMO, E_Ele, LogS, Entalpi, LUMO,
MR
f. Predictors: (Constant), MD, HOMO, E_Ele, LogS, LUMO, MR
g. Predictors: (Constant), MD, HOMO, E_Ele, LogS, MR
h. Predictors: (Constant), MD, E_Ele, LogS, MR
i. Predictors: (Constant), MD, LogS, MR
j. Predictors: (Constant), LogS, MR
k. Predictors: (Constant), MR

Diambil predictor yang (e)

1. MD
2. HOMO
3. E_Ele
4. LogS
5. Entalpi
 6. LUMO
7. MR

KOMBINASI

Kombinasi R
HOMO, MD, Entalpi 0.534
E_Ele, LogS, Entalpi 0.691
HOMO, LUMO,E_Ele 0.536
LogS, MD, MR 0.742
LogS,MR,HOMO 0.707
LogS,MR,LUMO 0,699
LogS,MR,E_Ele 0,731
E_Ele, MD,LogS 0.646

KOMBINASI ( LogS, MD, MR)

Model Summary

Model R R Square Adjusted R Std. Error of the

Square Estimate
a
1 .742 .550 .454 .6028667776

a. Predictors: (Constant), MR, LogS, MD

Coefficientsa

Model Unstandardized Coefficients Standardized t Sig.

Coefficients

B Std. Error Beta

(Constant) 10.309 2.806 3.674 .003

LogS .645 .387 .364 1.666 .118

1
MD .243 .171 .311 1.422 .177

MR -.066 .020 -.602 -3.280 .005

a. Dependent Variable: LogIC50

Persamaan :

LogIC50 = 10.309 + (0.645*LogS)+(0.243*MD)-(0.066*MR)

R = 0.742
Berikut Hasil LogIC50 Prediksi menggunakan Persamaan diatas :
 Model Summary

Model R R Square Adjusted R Std. Error of the

Square Estimate
a
1 .963 .928 .820 .3333595852

a. Predictors: (Constant), MR, LogS, MD

Coefficientsa

Model Unstandardized Coefficients Standardized t Sig.

Coefficients

B Std. Error Beta

(Constant) 15.399 3.083 4.994 .038

LogS 1.282 .942 .895 1.360 .307

1
MD .282 .453 .454 .622 .597

MR -.074 .043 -.624 -1.708 .230

a. Dependent Variable: LogIC50

Persamaan HKSA yang akan divalidasi :

LogIC50 = 15.399 + (1.282*LogS) + (0.282*MD) – (0.074*MR)