REGRESSION

/DESCRIPTIVES MEAN STDDEV CORR SIG N

/MISSING LISTWISE
/STATISTICS COEFF OUTS R ANOVA
/CRITERIA=PIN(.05) POUT(.10)
/NOORIGIN
/DEPENDENT Log1perIC50
/METHOD=BACKWARD qC1 qC2 qC3 qC4 qC5 qC6 u LogP
/SCATTERPLOT=(Log1perIC50 ,*ADJPRED)
/RESIDUALS DURBIN HISTOGRAM(ZRESID) NORMPROB(ZRESID)
/SAVE PRED RESID.

Regression
Notes

Output Created 01-JUL-2020 14:23:28

Comments
Input Active Dataset DataSet0
Filter <none>
Weight <none>
Split File <none>
19

Missing Value Handling Definition of Missing

Cases Used

Syntax

00:00:02.50

Page 1
 Notes

Resources Processor Time 00:00:02.50

Elapsed Time 00:00:02.33
Memory Required 4556 bytes
856 bytes

PRE_1

RES_1 Unstandardized Residual

[DataSet0]

Descriptive Statistics

Mean Std. Deviation N

Log1perIC50 5.10384 .530755 19
qC1 .099684 .0186600 19
qC2 -.078084 .0726177 19
qC3 -.087421 .0270549 19
qC4 -.093147 .0098240 19
qC5 -.031842 .0107042 19
qC6 -.195479 .0089850 19
u 2.66016 .326702 19
LogP 2.49211 .969711 19

Page 2
 Correlations

Log1perIC50 qC1 qC2 qC3 qC4

Pearson Correlation Log1perIC50 1.000 -.192 .380 -.141 .235 -.085
qC1 -.192 1.000 -.870 .687 -.825 .904
qC2 .380 -.870 1.000 -.758 .758 -.796
qC3 -.141 .687 -.758 1.000 -.884 .894
qC4 .235 -.825 .758 -.884 1.000 -.937
qC5 -.085 .904 -.796 .894 -.937 1.000
qC6 .105 -.898 .693 -.745 .939 -.934
u .141 .166 -.296 .200 .044 .207
LogP -.365 .279 -.238 .447 -.516 .360
Sig. (1-tailed) Log1perIC50 . .215 .054 .283 .167 .365
qC1 .215 . .000 .001 .000 .000
qC2 .054 .000 . .000 .000 .000
qC3 .283 .001 .000 . .000 .000
qC4 .167 .000 .000 .000 . .000
qC5 .365 .000 .000 .000 .000 .
qC6 .335 .000 .000 .000 .000 .000
u .282 .248 .109 .206 .430 .197
LogP .062 .123 .163 .027 .012 .065
N Log1perIC50 19 19 19 19 19 19
qC1 19 19 19 19 19 19
qC2 19 19 19 19 19 19
qC3 19 19 19 19 19 19
qC4 19 19 19 19 19 19
qC5 19 19 19 19 19 19
qC6 19 19 19 19 19 19
u 19 19 19 19 19 19
LogP 19 19 19 19 19 19

Page 3
 Correlations

qC5 qC6 u LogP

Pearson Correlation Log1perIC50 -.085 .105 .141 -.365
qC1 .904 -.898 .166 .279
qC2 -.796 .693 -.296 -.238
qC3 .894 -.745 .200 .447
qC4 -.937 .939 .044 -.516
qC5 1.000 -.934 .207 .360
qC6 -.934 1.000 .079 -.464
u .207 .079 1.000 -.638
LogP .360 -.464 -.638 1.000
Sig. (1-tailed) Log1perIC50 .365 .335 .282 .062
qC1 .000 .000 .248 .123
qC2 .000 .000 .109 .163
qC3 .000 .000 .206 .027
qC4 .000 .000 .430 .012
qC5 . .000 .197 .065
qC6 .000 . .375 .023
u .197 .375 . .002
LogP .065 .023 .002 .
N Log1perIC50 19 19 19 19
qC1 19 19 19 19
qC2 19 19 19 19
qC3 19 19 19 19
qC4 19 19 19 19
qC5 19 19 19 19
qC6 19 19 19 19
u 19 19 19 19
LogP 19 19 19 19

Page 4
 Variables Entered/Removeda

Model Method
1 . Enter

2 . qC5

3 . qC1

4 . u

a.
b.

Model Summarye

Model R R Square
a
1 .824 .680 .423 .403060
b
2 .824 .680 .476 .384329
3 .824c .679 .519 .368190
d
4 .783 .613 .464 .388741 1.255

a.
b.
c.
d.
e.

Page 5
 ANOVAa

Model df Mean Square F Sig.

1 Regression 3.446 8 .431 2.651 .075b
Residual 1.625 10 .162
Total 5.071 18
2 Regression 3.446 7 .492 3.333 .037c
Residual 1.625 11 .148
Total 5.071 18
3 Regression 3.444 6 .574 4.234 .016d
Residual 1.627 12 .136
Total 5.071 18
4 Regression 3.106 5 .621 4.111 .019e
Residual 1.965 13 .151
Total 5.071 18

a.
b.
c.
d.
e.

Coefficientsa

Unstandardized Coefficients
Model B Std. Error Beta t Sig.
1 (Constant) 2.591 27.889 .093 .928
qC1 -2.239 51.885 -.079 -.043 .966
qC2 4.449 7.810 .609 .570 .582
qC3 38.813 33.954 1.978 1.143 .280
qC4 156.093 65.242 2.889 2.393 .038
qC5 -6.544 179.190 -.132 -.037 .972
qC6 -124.937 118.748 -2.115 -1.052 .318
u -.906 1.159 -.558 -.782 .453
LogP -.484 .211 -.884 -2.295 .045
2 (Constant) 3.531 10.257 .344 .737
qC1 -3.687 31.909 -.130 -.116 .910
qC2 4.246 5.243 .581 .810 .435
qC3 37.669 12.513 1.920 3.011 .012
qC4 156.220 62.121 2.892 2.515 .029
qC6 -121.877 80.217 -2.063 -1.519 .157
u -.940 .664 -.578 -1.415 .185
LogP -.485 .199 -.885 -2.434 .033
3 (Constant) 4.570 4.720 .968 .352
qC2 4.793 2.151 .656 2.229 .046
37.981 11.705 1.936 3.245 .007
Page 6
 Coefficientsa

Unstandardized Coefficients
Model B Std. Error Beta t Sig.
qC3 37.981 11.705 1.936 3.245 .007
qC4 152.469 50.738 2.822 3.005 .011
qC6 -113.584 34.332 -1.923 -3.308 .006
u -.962 .609 -.592 -1.579 .140
LogP -.487 .189 -.890 -2.571 .024
4 (Constant) -.574 3.605 -.159 .876
qC2 6.053 2.109 .828 2.871 .013
qC3 25.217 8.935 1.285 2.822 .014
qC4 113.745 46.893 2.105 2.426 .031
qC6 -100.036 35.097 -1.693 -2.850 .014
LogP -.243 .115 -.443 -2.107 .055

a.

Excluded Variablesa

Model Beta In t Sig. Tolerance

b
2 qC5 -.132 -.037 .972 -.012 .002
c
3 qC5 -.251 -.113 .912 -.034 .006
qC1 -.130c -.116 .910 -.035 .023
d
4 qC5 -1.780 -1.213 .248 -.331 .013
d
qC1 -.587 -.525 .609 -.150 .025
d
u -.592 -1.579 .140 -.415 .190

a.
b.
c.
d.

Page 7
 Residuals Statisticsa

Minimum Maximum Mean Std. Deviation N

Predicted Value 4.51089 5.89987 5.10384 .415401 19
Std. Predicted Value -1.427 1.916 .000 1.000 19
.131 .321 .209 .067 19

Adjusted Predicted Value 4.53728 6.15506 5.12596 .441103 19

Residual -.872146 .601299 .000000 .330367 19
Std. Residual -2.244 1.547 .000 .850 19
Stud. Residual -2.580 1.648 -.023 1.008 19
Deleted Residual -1.153167 .682331 -.022121 .484565 19
Stud. Deleted Residual -3.548 1.780 -.067 1.176 19
Mahal. Distance 1.111 11.329 4.737 3.579 19
Cook's Distance .000 .535 .085 .141 19
Centered Leverage Value .062 .629 .263 .199 19

a.

Charts

Histogram
Dependent Variable: Log1perIC50

Mean = 6.95E-15
6 Std. Dev. = 0.850
N = 19

4
Frequency

0
-3 -2 -1 0 1 2

Regression Standardized Residual

Page 8
 Normal P-P Plot of Regression Standardized Residual
Dependent Variable: Log1perIC50
1.0

0.8
Expected Cum Prob

0.6

0.4

0.2

0.0
0.0 0.2 0.4 0.6 0.8 1.0

Observed Cum Prob

Page 9
 Scatterplot
Dependent Variable: Log1perIC50

6.000
Log1perIC50

5.500

5.000

4.500

4.500 5.000 5.500 6.000 6.500

Regression Adjusted (Press) Predicted Value

Page 10