The charge separation descriptors computed in this work range between 0.037 and 0.931 (it can go from 0 to 1). To test the validity of our charge separation descriptor, we compared our results with reported lifetimes in COFs. Our computed values agree qualitatively with experimental results of charge carrier lifetime for, e.g., COF-366 (low Λ=0.3, lifetime of ≈80 µs) and N 3 -COF (high Λ=0.7, average lifetime of ≈4 ns). Considering that lower values of Λ are an indication of lower chances of electronhole recombination, we filtered the structures presenting Λ less than 0.5 as potentially favorable for charge separation. The structures obtained after this filter represent 28% of the database. With a lower threshold of 0.15, 13 structures are filtered, 4 of them composing a series of multiple-component donor-acceptor COFs (MC-COF-TPs), strategically designed to contain spatially separated electron donor and acceptor groups. Those COFs contain the group 2,3,6,7,10,11-hexahydroxytriphenylene (TP) as knots, benzene-1,4-dialdehyde, nitro-pphenylenediamine and p-phenylenediamine as electron donors and 2,1,3-benzothiadiazole-4,7diboronic acid (BTDADA) as an electron acceptor, with N, B, and S heteroatoms present and spatially separated in each structure. The authors state that charge transfer is triggered from TP to BTDADA and that the sequenced π-arrays may play an important role in the electronic correlations. The presence of groups that can stabilize charge carriers is crucial for enhancing photocatalytic activity and is desired if one would like to design COFs with low detrimental charge recombination. The remaining nine structures with the lowest computed charge recombination descriptors (Λ < 0.15) are BP-COF-1 and BP-COF-2 (both with B, S, P, O, and F as heteroatoms), PIA-AA and PIC-AA (both with dicarboximide groups), CCOF-1, NN-TAPH-COF, (R)-DTP-COF, DhaTab, and COF-119. Among them, triphenylbenzene seems to be a common group (for DhaTab, PIC-AA, and (R)-DTP-COF). descriptor with the presence of those groups (see Figures and).