Figure 9.
De novo design outcomes in the absence of protein (simple-build protocol) using single descriptor D3N-drugc protocols to only drive QED as a function of which growth layer the pruning algorithm takes effect (layer 1 red, layer 5 purple, layer 9 blue). Results from the multi-descriptor D3N-drugc protocol are plotted for comparison (pink shaded areas). TPSA values in angstroms squared.