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
#1446 ruthenium (II) complex Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#2581 1 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#2582 2 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#2689 Λ-1,Δ-1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#2724 RC2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3095 Ru.Nap Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3150 Ru-1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3371 4,2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3497 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3498 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3499 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#3747 [Ru(apy)(tpy)(CH3CN)] (ClO4)2 (1c) Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#4067 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#4503 Ru6 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#4506 Ru9 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#4507 Ru5 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#4815 Ru,RuOH Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 9}
0.89
#142 2 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 7}
0.88
#788 Ru(tpy)DPPZ Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 8}
0.88
#824 4a Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 7}
0.88
#1158 10 Ru(3) — 3 candidates
GT: {"N": 6, "O": 2} Pred: {"N": 5, "O": 2}
0.88
#1161 13 Ru(3) — 3 candidates
GT: {"N": 6, "O": 2} Pred: {"N": 5, "O": 2}
0.88
#1193 Ru-2 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 7}
0.88
#2707 1 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 3} Pred: {"O": 3, "S": 2, "N": 3}
0.88
#2923 Ru3 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 8}
0.88
#3177 Ru3 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 7}
0.88
#3696 2c Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 8}
0.88
#141 1 Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 6}
0.86
#144 4 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#246 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#247 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#719 [RuCl2(3,3’-dcbpy) (DMSO)2] Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 3, "S": 2, "N": 2}
0.86
#841 C3 Ru(2) — 2 candidates
GT: {"O": 1, "N": 6} Pred: {"N": 6}
0.86
#1338 13 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#1440 1 Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#1442 3 Ru(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#1850 4 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#2901 Ru-bqp-ester Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#3549 α-NO₂phen-7 Ru(2) — 2 candidates
GT: {"N": 6, "O": 1} Pred: {"N": 6}
0.86
#3745 [Ru(apy)(tpy)Cl](ClO4) (1a) Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 6}
0.86
#3746 [Ru(apy)(tpy)(H2O)](ClO4)2·2H2O (1b) Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 6}
0.86
#3813 2 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#3826 4,2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#4235 5 Ru(3) — 2 candidates
GT: {"N": 4, "O": 1, "P": 1} Pred: {"N": 4, "O": 2, "P": 1}
0.86
#4236 6 Ru(3) — 2 candidates
GT: {"N": 4, "O": 1, "P": 1} Pred: {"N": 4, "O": 2, "P": 1}
0.86
#4238 8 Ru(3) — 2 candidates
GT: {"N": 4, "O": 1, "P": 1} Pred: {"N": 4, "O": 2, "P": 1}
0.86
#6758 17 Rh(3) — 2 candidates
GT: {"N": 6} Pred: {"N": 7}
0.86
#390 5 Ru(2) — 2 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 4, "P": 1}
0.83
#694 QY1 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 1} Pred: {"O": 3, "S": 2, "N": 1}
0.83
#1087 1 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 6}
0.83
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