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LIE Model 1 for the thiourea compounds, including energies from simulations of one docked pose (N_1). The thick line is not a correlation line, but indicates the perfect correlation between experimental and calculated values. The thin lines represent an error of ±4.19 kJ/mol (1 kcal/mol). The values are α = 0.53 and β = 0.11. The RMS error is 5.4 kJ/mol. The marker for compound TH8 falls outside the scale of the graph.
