﻿Fitting fulldataset splitting by compound type - excludes pyrrol and triamide compounds
Linear fit with ALOGP - including NB_quarterly_report_7:13

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Squaramide
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Response Log.1.EC50 Compound_Type=squaramide

Summary of Fit
RSquare	0.199706
RSquare Adj	0.085378
Root Mean Square Error	0.714467
Mean of Response	0.905173
Observations (or Sum Wgts)	9

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	1	0.8916694	0.891669	1.7468
Error	7	3.5732368	0.510462		Prob > F
C. Total	8	4.4649062		0.2278	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -0.01746	0.737592	 -0.02	0.9818
ALOGP	0.2268149	0.171614	1.32	0.2278

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Thiourea
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Response Log.1.EC50 Compound_Type=thiourea

Lack Of Fit
Source	DF	Sum of Squares	Mean Square	F Ratio
Lack Of Fit	36	17.233041	0.478696	2.0001
Pure Error	3	0.718009	0.239336		Prob > F
Total Error	39	17.951050		0.3153	
					Max RSq
				0.9676	

Summary of Fit	
RSquare	0.189206
RSquare Adj	0.168416
Root Mean Square Error	0.678442
Mean of Response	0.305638
Observations (or Sum Wgts)	41

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	1	4.189025	4.18903	9.1010
Error	39	17.951050	0.46028		Prob > F
C. Total	40	22.140075		0.0045	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -0.688097	0.346024	 -1.99	0.0538
ALOGP	0.1880694	0.062341	3.02	0.0045

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Urea
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Response Log.1.EC50 Compound_Type=urea

Lack Of Fit
Source	DF	Sum of Squares	Mean Square	F Ratio
Lack Of Fit	29	33.814758	1.16603	1.5093
Pure Error	1	0.772572	0.77257		Prob > F
Total Error	30	34.587330		0.5777	
					Max RSq
				0.9802	

Summary of Fit	
RSquare	0.111706
RSquare Adj	0.082096
Root Mean Square Error	1.073737
Mean of Response	0.625743
Observations (or Sum Wgts)	32

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	1	4.349484	4.34948	3.7726
Error	30	34.587330	1.15291		Prob > F
C. Total	31	38.936814		0.0615	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -0.52402	0.621641	 -0.84	0.4059
ALOGP	0.2387196	0.122904	1.94	0.0615