The WisDM Green analysis correlated the 59 OACD-designed compound combinations and their corresponding %Yield via a second-order quadratic equation, and this correlation can be used to describe the interactions among all 8 compounds (Equation 2). Box-Cox transformation suggested a square transformation (%Yield2) that would improve the fit properties of the %Yield data: residual distributions and the adjusted R2. No outlier was identified using residual-based outlier analysis (Figure 7). The WisDM Green analysis had an adjusted R2 of 0.732, and the WisDM Green estimated coefficients and statistics for the second order quadratic equation are tabulated in Table 6. The analysis provided a ranked list of all possible combinations for 8 compounds at 3 concentration levels (38 = 6,561) with their corresponding WisDM Green-predicted %Yield. The top 10 combinations are summarized in Table 7, and the top 10 2-compound combinations are tabulated in Table 8. 2-compound combinations were further explored to assess their interactions as they may serve as a backbone for the development of sustainable multi-compound combinations. Furthermore, designing effective combinations may be more ecologically sustainable by reducing the practice of fertilizer-driven yield. Subsequently, all of the combinations that were highly ranked for potential yield increase (6-BAP/Adenine/EDTA-Fe, 6-BAP/HA/SWE/Starch, Adenine/EDTA-Fe, 6-BAP/EDTA-Fe, Adenine/6-BAP, and HA/SWE) were selected to experimentally measure their effect on %Yield (Table 7 and 8). Notably, HA/SWE, which was pinpointed as one of the top 2-compound combinations, has been identified in multiple studies and determined as a synergistic combination in farming applications.[20] Moreover, in Table S7, 6-BAP/Adenine/HA/EDTA-Fe/Sucrose, an ineffective combination (ranked 5,610th out of 6,561), was also included to confirm the dynamic ability of WisDM Green in pointing to combinatorial designs that may have ineffective %Yield. This combination had two identical compounds as the 1st and 2nd ranked combinations, and WisDM Green determined that replacing a few compounds may result in negative %Yield (-37.72).