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
#2287 3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 6}
0.60
#2288 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 6}
0.60
#2540 4 Ru(2) — 4 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 8, "P": 2}
0.60
#2599 2(H) Ru(2) — 2 candidates
GT: {"O": 2, "N": 1, "P": 2} Pred: {"O": 2, "N": 1}
0.60
#2600 2(Me) Ru(2) — 2 candidates
GT: {"O": 2, "N": 1, "P": 2} Pred: {"O": 2, "N": 1}
0.60
#2601 2(Cl) Ru(2) — 2 candidates
GT: {"O": 2, "N": 1, "P": 2} Pred: {"O": 2, "N": 1}
0.60
#2683 1 Ru(3) — 3 candidates
GT: {"N": 4, "S": 1, "P": 2} Pred: {"N": 3, "S": 3, "P": 3}
0.60
#2736 Ru-3A Ru(2) — 1 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3}
0.60
#2988 1 Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.60
#3270 4 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 4, "O": 1}
0.60
#3566 [Ru(DAE)Cl2(H2O)] Ru(3) — 1 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 2, "N": 2}
0.60
#3792 2 Ru(3) — 1 candidates
GT: {"N": 5} Pred: {"N": 3}
0.60
#3953 3 Ru(2) — 3 candidates
GT: {"N": 4, "P": 2} Pred: {"N": 8, "P": 2}
0.60
#4039 [Ru(l-Val-H)(dppb)(phen)]PF6 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 5, "O": 3, "P": 2}
0.60
#4369 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 6}
0.60
#4370 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 6}
0.60
#4395 4h Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 6}
0.60
#4751 6 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 2}
0.60
#4752 7 Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2, "O": 3}
0.60
#4781 8 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.60
#4782 9 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.60
#4783 10 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.60
#6203 3 Re(1) — 1 candidates
GT: {"N": 2, "O": 3} Pred: {"N": 2, "O": 1}
0.60
#6260 9Re Re(1) — 1 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3}
0.60
#6261 Re1 Re(1) — 1 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3}
0.60
#6262 Re2 Re(1) — 1 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3}
0.60
#6263 Re3 Re(1) — 1 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 3}
0.60
#6842 2a,1a,6 Rh(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 2, "N": 2}
0.60
#202 Rhein-Ru(bpy)3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#203 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#204 1a Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#205 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#209 6 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#211 8 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#214 11 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#264 Complex 1 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 2}
0.58
#265 Complex 2 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 2}
0.58
#267 Complex 4 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 2}
0.58
#363 2a Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#364 3a Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#365 2b Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#366 3b Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#391 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#394 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#395 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#657 Mono Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#742 2 Ru(2) — 3 candidates
GT: {"N": 6, "O": 1} Pred: {"O": 3, "N": 9}
0.58
#743 3 Ru(2) — 3 candidates
GT: {"N": 6, "O": 1} Pred: {"N": 9, "O": 3}
0.58
#804 6a Ru(2) — 3 candidates
GT: {"N": 6, "S": 1} Pred: {"S": 6, "N": 6}
0.58
#806 6c Ru(2) — 3 candidates
GT: {"N": 6, "S": 1} Pred: {"S": 6, "N": 6}
0.58
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