“…In our prior work on p-conjugated oligopeptides, we typically synthesized the peptide wings with the ionizable residue responsible for actuating pH-triggered assembly located at the C-terminus to locate it as far away as possible from the p-core: our motivation for this design choice was that the hydrophilic and polar nature of these residues which, together with their steric bulk, was anticipated to disrupt good supramolecular assembly of the p-cores. 14,15,70,[88][89][90][91] Interestingly, our active learning screen appears to have also learned this design rule without any explicit human instruction and thus furnished post hoc support for this intuitive choice. Similarly, our recent computational and experimental work 30,31,92 is consistent with prior chemical intuition 88 that the placement of small non-polar residues adjacent to the p-core should promote good co-facial stacking of the cores.…”