homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
#1500 1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#1501 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#1529 Ru1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#2001 Ru-1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#2091 Ru-1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2092 Ru-2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2455 4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2658 Ru1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2659 Ru2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2783 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#2785 4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#3169 2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#3533 1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#3534 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"N": 12}
0.38
#3535 3 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#3779 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 6, "N": 5}
0.38
#4027 Complex-1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#4028 Complex-2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#4029 Complex-3 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 12}
0.38
#4600 Complex 4 Ru(2) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"O": 6, "N": 3, "P": 3}
0.38
#248 Ru3,3,1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#260 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#261 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#262 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#263 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#1357 [Ru(MeIm)4(bpy)]2+ Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#1358 [Ru(Im)4(bpy)]2+ Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#1441 2 Ru(3) — 2 candidates
GT: {"N": 8} Pred: {"N": 3}
0.38
#1443 4 Ru(3) — 2 candidates
GT: {"N": 8} Pred: {"N": 3}
0.38
#1607 2 Ru(2) — 3 candidates
GT: {"S": 4, "N": 2, "O": 2} Pred: {"S": 9, "O": 5}
0.38
#1833 2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 2, "P": 2} Pred: {"N": 1, "O": 1, "S": 1}
0.38
#1942 2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 2, "P": 2} Pred: {"N": 1, "O": 1, "S": 1}
0.38
#1999 2 Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 2, "P": 1} Pred: {"N": 1, "O": 1, "S": 1}
0.38
#2631 1 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#2968 1 Ru(2) — 4 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 7, "N": 6, "O": 3}
0.38
#3623 1 Ru(3) — 3 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 3, "P": 3}
0.38
#3866 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 16}
0.38
#4232 3 Ru(3) — 2 candidates
GT: {"N": 6} Pred: {"O": 2, "N": 3}
0.38
#4786 13 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 5} Pred: {"S": 2, "O": 1, "N": 1}
0.38
#6246 2-Et-NH2 Re(1) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 3}
0.38
#6298 1b Re(1) — 1 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 3}
0.38
#6360 2d Re(2) — 2 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 3}
0.38
#6825 4 Rh(3) — 3 candidates
GT: {"N": 6, "S": 2} Pred: {"S": 10, "N": 4}
0.38
#6887 2 Rh(3) — 2 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 2, "N": 2}
0.38
#1546 [RuCl(DMSO)3L2] Ru(2) — 4 candidates
GT: {"S": 2, "N": 1, "O": 2} Pred: {"S": 7, "O": 3}
0.36
#37 1a Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 13}
0.36
#2763 1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 13}
0.36
#2782 1 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 13}
0.36
#2784 3 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 13}
0.36
#2786 5 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 13}
0.36
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