Outlier Analysis for WisDM Green Analysis on %Yield. The mean of each individual compound combination (N = 3) was used in the WisDM Green quadratic stepwise regression analysis. Residual-based outlier analysis was performed for each of the OACD-designed combinations. Residual is determined by the difference between the experimentally determined %Yield and the WisDM Green-predicted %Yield. The fit properties of the %Yield data, specifically the distribution of residuals and the WisDM Green model fit, were assessed via the plot of residuals vs. fitted values. In the Cook’s distance plot, each row number corresponds to the OACD-designed combinations in Table 6. The normal probability plot and the histogram of residuals examined the normality of residual distribution. No outlier was identified in this round of outlier analysis.