RBFE network

Selected edges are shown below with both ligands drawn side by side. The warm highlight is the soft-core region that changes during the transformation; the cool highlight is the common core that stays fixed. Counterpoised (CBFE) edges are marked separately: they run two absolute calculations in opposite directions rather than morphing one ligand into the other, so both molecules are entirely soft-core and there is no common core to show.

Diagnostics

Network-level metrics. Machine time is estimated from published per-edge measurements and is a report only -- it played no part in choosing these edges.

23 edges over 16 ligands is 22 below the n*ln(n) precision floor of 45 (Pitman 2023). Below that floor precision degrades faster as the series grows; raise --edges-per-ligand or --n-edges to buy it back.

Network

Thicker edges are cheaper. Hollow red nodes are unconnected. Violet edges are counterpoised (CBFE). Click a network edge or the index below to jump to its transformation card.

Selected edges