Fitting fulldataset splitting by compound type - excludes pyrrol and triamide compounds
Quadratic fit with ALOGP (through polynomial fit) - including NB_quarterly_report_7:13

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Squaramide
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Fit Curve Compound_Type=squaramide

Model Comparison
Model		AICc		BIC		SSE	MSE		RMSE		R-Square
Quadratic	+++	30.337474	21.126373	2.07545	0.3459083	0.5881397	0.5351638

Quadratic

Parameter Estimates
Parameter	Estimate	Std Error	Lower 95%	Upper 95%
Intercept	 -3.807261	1.9198047	 -7.570009	 -0.044513
Slope	2.2976641	1.0051623	0.3275823	4.267746
Quadratic	 -0.250855	0.120553	 -0.487134	 -0.014575

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Thiourea
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Fit Curve Compound_Type=thiourea

Model Comparison
Model		AICc	BIC	SSE	MSE	RMSE	R-Square
Quadratic	+++	90.860286	96.603463	17.629565	0.4639359	0.6811284	0.203726

Parameter Estimates
Parameter	Estimate	Std Error	Lower 95%	Upper 95%
Intercept	 -1.593013	1.1412275	 -3.829777	0.6437521
Slope	0.4992762	0.3790535	 -0.243655	1.2422073
Quadratic	 -0.024002	0.0288338	 -0.080516	0.0325109

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Urea
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Fit Curve Compound_Type=urea

Model Comparison
Model		AICc	BIC	SSE	MSE	RMSE	R-Square
Quadratic	+++	101.57118	105.95264	33.303483	1.148396	1.0716324	0.1446788

Parameter Estimates
Parameter	Estimate	Std Error	Lower 95%	Upper 95%
Intercept	1.2474139	1.7865701	 -2.254199	4.749027
Slope	 -0.55732	0.7628039	 -2.052388	0.9377482
Quadratic	0.0806248	0.0762532	 -0.068829	0.2300782



