## 2 Data Collection and Curation Process
### Decoys Implementation  
Due to the need for more information regarding successful and unsuccessful cases of compound compatibility, implementing decoys was required to increase the quantity of data and strengthen it. Decoys are putatively inactive compounds generated from a set of active compounds; these molecules have not been tested against a molecular target. However, due to their structural features, they are unlikely to bind to the target and have a high affinity. They can be used to validate virtual screening tools and protocols. LUDe (LIDEB's Useful Decoys), a tool developed by the Laboratory of Investigation and Development of Bioactives (LIDEB) at the National University of La Plata, was used to generate these molecules [33]. For generating these decoys, the WMs from Table 1 were used as active compounds to generate these decoys; additionally, scleroglucan was used as the wall material before generating the decoys. This procedure was due to the compatibility and incompatibility that the compound showed with different ACs as demonstrated in Ref. [34]. When encapsulating antioxidant compounds, focusing on the wall materials rather than the antioxidants themselves is essential. The wall materials are the main protective barrier, shielding the antioxidants from oxygen, moisture, and light, thus ensuring their stability and effectiveness [35]. It is crucial to ensure that the wall materials are compatible because any lack of compatibility could jeopardize the structural strength of the enclosed product, resulting in early deterioration or leaking and ultimately making the encapsulation process inefficient [36]. The physical and chemical characteristics of wall materials substantially impact these processes. Concentrating on these materials makes it possible to find the most appropriate candidates that can be consistently employed in different settings [37]. While antioxidant chemicals are important for their functional advantages, they are usually not the primary concern in decoys. This is because their major activity is within the core of the enclosed structure, and their interaction with wall materials is typically limited. The primary focus in the encapsulation process is to prioritize the structural and barrier properties of the wall materials to achieve optimal efficacy and efficiency [38]. \begin{table}
\begin{tabular}{l l c c c c c c c c c c} \hline \hline
**Success** & **Compound** & **MW** & **LogP** & **HBA** & **HBD** & **PSA** & **HAC** & **CGC** & **CnGC** & **HGC** & **AGC** \\ \hline \multirow{2}{*}{1} & Catechin (AC) & 290.27 & 1.46 & 1 & 5 & 110.38 & 21 & 0 & 0 & 7 & 3 \\  & Sodium Alginate (WM) & 418.23 & \(-\)4.10 & 12 & 6 & 192.44 & 52 & 1 & 1 & 17 & 32 \\  & Estragole (AC) & 148.21 & 3.23 & 0 & 0 & 9.23 & 11 & 0 & 0 & 2 & 1 \\  & Sodium Alginate (WM) & 418.23 & \(-\)4.10 & 12 & 6 & 192.44 & 52 & 1 & 1 & 17 & 32 \\  & P-comaric (AC) & 164.16 & 1.50 & 2 & 2 & 57.53 & 12 & 1 & 1 & 2 & 0 \\  & Sodium Alginate (WM) & 418.23 & \(-\)4.10 & 12 & 6 & 192.44 & 52 & 1 & 1 & 17 & 32 \\ \hline \multirow{2}{*}{**Failure**} & **Compound** & **MW** & **LogP** & **HBA** & **HBD** & **PSA** & **HAC** & **CGC** & **CnGC** & **HGC** & **AGC** \\ \hline \multirow{2}{*}{1} & P-comaric (AC) & 164.16 & 1.50 & 2 & 2 & 57.53 & 12 & 1 & 1 & 2 & 0 \\  & Maltodextrin (WM) & 342.30 & \(-\)4.70 & 11 & 8 & 190.00 & 23 & 0 & 0 & 14 & 8 \\  & Vainillin (AC) & 168.15 & 1.17 & 4 & 2 & 66.76 & 12 & 1 & 1 & 4 & 0 \\  & Maltodextrin (WM) & 342.30 & \(-\)4.70 & 11 & 8 & 190.00 & 23 & 0 & 0 & 14 & 8 \\  & Curcumin (AC) & 368.39 & 2.95 & 2 & 2 & 93.06 & 27 & 0 & 4 & 6 & 3 \\  & Curdlan oligosaccharide (WM) & 180.16 & \(-\)2.60 & 6 & 5 & 110.00 & 12 & 0 & 0 & 7 & 16 \\ \hline \hline \end{tabular}
\end{table} 
Table 1: Comparison of success [30] and failure [31; 32] cases and their AC and WM parameters. This method is more economical since wall materials are generally utilized in greater amounts than antioxidants, making their compatibility a crucial consideration for financial reasons [39].