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

###
Squaramide
###
Response Log.1.EC50 Compound_Type=squaramide

Effect Summary
Source	LogWorth	                    	PValue
ALOGP	2.781	++++++              	0.00165
MW	0.083	                    	0.82600

Summary of Fit	
RSquare	0.930954
RSquare Adj	0.903336
Root Mean Square Error	0.216652
Mean of Response	1.026842
Observations (or Sum Wgts)	8

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	2	3.1643609	1.58218	33.7078
Error	5	0.2346903	0.04694		Prob > F
C. Total	7	3.3990512		0.0013	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -0.842863	0.349174	 -2.41	0.0606
MW	 -0.000253	0.001093	 -0.23	0.8260
ALOGP	0.5199311	0.08456	6.15	0.0017

###
Thiourea
###
Response Log.1.EC50 Compound_Type=thiourea

Effect Summary
Source	LogWorth	                    	PValue
ALOGP	0.757	++                  	0.17480
MW	0.001	                    	0.99674

Lack Of Fit
Source	DF	Sum of Squares	Mean Square	F Ratio
Lack Of Fit	36	17.246866	0.479080	1.3607
Pure Error	2	0.704176	0.352088		Prob > F
Total Error	38	17.951042		0.5134	
					Max RSq
				0.9682	

Summary of Fit
RSquare	0.189206
RSquare Adj	0.146533
Root Mean Square Error	0.687311
Mean of Response	0.305638
Observations (or Sum Wgts)	41

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	2	4.189033	2.09452	4.4338
Error	38	17.951042	0.47240		Prob > F
C. Total	40	22.140075		0.0186	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -0.687511	0.378385	 -1.82	0.0771
MW	5.4849e-6	0.001332	0.00	0.9967
ALOGP	0.1875751	0.135648	1.38	0.1748

###
Urea
###
Response Log.1.EC50 Compound_Type=urea

Effect Summary
Source	LogWorth	                    	PValue
MW	1.399	+++                 	0.03989
ALOGP	0.057	                    	0.87736

Lack Of Fit
Source	DF	Sum of Squares	Mean Square	F Ratio
Lack Of Fit	28	29.053532	1.03763	1.3431
Pure Error	1	0.772572	0.77257		Prob > F
Total Error	29	29.826104		0.6045	
					Max RSq
				0.9802	

Summary of Fit	
RSquare	0.233987
RSquare Adj	0.181159
Root Mean Square Error	1.014143
Mean of Response	0.625743
Observations (or Sum Wgts)	32

Analysis of Variance
Source	DF	Sum of Squares	Mean Square	F Ratio
Model	2	9.110710	4.55535	4.4292
Error	29	29.826104	1.02849		Prob > F
C. Total	31	38.936814		0.0210	

Parameter Estimates
Term	Estimate	Std Error	t Ratio	Prob>|t|
Intercept	 -1.033574	0.633103	 -1.63	0.1134
MW	0.0037415	0.001739	2.15	0.0399
ALOGP	 -0.026352	0.169272	 -0.16	0.8774

####
script
####
Fit Model(
	Y( :Log.1.EC50 ),
	Effects( :MW, :ALOGP ),
	Personality( "Standard Least Squares" ),
	Emphasis( "Effect Leverage" ),
	Run(
		:Log.1.EC50 << {Plot Actual by Predicted( 1 ), Plot Regression( 0 ),
		Plot Residual by Predicted( 1 ), Plot Effect Leverage( 1 )}
	),
	Where( :Compound_Type == "urea" )
)
###
Fit Model(
	Y( :Log.1.EC50 ),
	Effects( :MW, :ALOGP ),
	Personality( "Standard Least Squares" ),
	Emphasis( "Effect Leverage" ),
	Run(
		:Log.1.EC50 << {Plot Actual by Predicted( 1 ), Plot Regression( 0 ),
		Plot Residual by Predicted( 1 ), Plot Effect Leverage( 1 )}
	),
	Where( :Compound_Type == "thiourea" )
)
###
Fit Model(
	Y( :Log.1.EC50 ),
	Effects( :MW, :ALOGP ),
	Personality( "Standard Least Squares" ),
	Emphasis( "Effect Leverage" ),
	Run(
		:Log.1.EC50 << {Lack of Fit( 0 ), Plot Actual by Predicted( 1 ),
		Plot Regression( 0 ), Plot Residual by Predicted( 1 ),
		Plot Effect Leverage( 1 )}
	),
	Where( :Compound_Type == "squaramide" )
)
####Doesn't have the exclusions listed