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.
16
Ligands
15
Edges
2
Repaired
0
Rejected
star
Planner
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.
Metric
Value
Total cost
22.700 scorer units
Estimated machine time
59.6 GPU-hours (about $23.82)
Mean cost per edge
1.513
Degree
min 1 · mean 1.88 · max 15
Isolated ligands
none
Diameter
2
Short cycles
0 of length ≤ 4
Robustness
37% of 100 trials stay connected at 5% edge failure; 15.0 ligands retained on average
15 edges over 16 ligands is 30 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. Click a network edge or the index below to jump to its transformation card.
closure: normalised raw soft-core 6/12 -> 8/14 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 8/14 atom(s)