homecomplexesD-MPNN

D-MPNN Donor Prediction

Single-ligand (939) — 939 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
64
Exact (1.0)
451
Partial (>0)
424
No match
0.260
Mean score
#727 Complex 1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
#729 Complex 7 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
#770 3 Ru(2) — 30 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 1, "N": 1}
1.00
#775 Ru1 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#808 Complex-4 Ru(2) — 30 candidates
GT: {"N": 2, "O": 1} Pred: {"N": 2, "O": 1}
1.00
#827 Ru2 Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 2}
1.00
#836 K2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#880 cis-[RuCl2(dppm)2],cis-[RuCl₂(dppm)₂],is-[RuCl₂(dppm)₂] Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 2}
1.00
#3671 RuphenBiHim Ru(0) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#4351 16 Ru(0) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#4841 3a Ir(3) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#4849 2 Ir(3) — 30 candidates
GT: {"O": 2} Pred: {"O": 2}
1.00
#4852 Ir-NH2 Ir(3) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
#6383 ODC2 Os(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
#138 3,2,C1 [Ru(bpy)₂(dmbpy)]Cl₂,S2-bpy Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 5}
0.83
#248 Ru3,3,1 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 5}
0.83
#259 1,Ru2 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 5}
0.83
#475 Ru3 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 3}
0.75
#502 1e Ru(2) — 30 candidates
GT: {"O": 3, "N": 1} Pred: {"O": 2, "N": 1}
0.75
#549 Ru1 Ru(2) — 30 candidates
GT: {"N": 3} Pred: {"N": 4}
0.75
#704 Ru-DPPE-5FU Ru(2) — 30 candidates
GT: {"O": 2, "P": 2} Pred: {"O": 1, "P": 2}
0.75
#839 C1 Ru(3) — 30 candidates
GT: {"N": 2, "O": 2} Pred: {"O": 1, "N": 2}
0.75
#600 2d,3d Ru(2) — 7 candidates
GT: O:1,N:1,S:1 Pred: S:1,N:1
0.67
#84 [Ru(DIP)2(chr)](OTf) Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
#98 1 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#99 2 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#101 4 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#102 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#104 1 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#105 2 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#106 3 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#107 4 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#108 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#109 6 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#110 1 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#111 2 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#113 4 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.67
#114 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#131 Ru1,Ru3 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 1} Pred: {"N": 2}
0.67
#132 Ru2 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 1} Pred: {"N": 2}
0.67
#133 Ru3 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 1} Pred: {"N": 2}
0.67
#154 Ru-1,1,4 Ru(2) — 30 candidates
GT: {"N": 2, "Cl": 1} Pred: {"N": 2}
0.67
#219 [Ru(Hdpa)2(mdpq)]2+ 4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 3}
0.67
#261 3 Ru(2) — 30 candidates
GT: {"Cl": 2, "N": 4} Pred: {"N": 4}
0.67
#263 5 Ru(2) — 30 candidates
GT: {"I": 2, "N": 4} Pred: {"N": 4}
0.67
#279 Ru4 Ru(2) — 24 candidates
GT: {"O": 2, "S": 1} Pred: {"O": 1, "S": 1}
0.67
#280 Ru5 Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"O": 1, "S": 1}
0.67
#281 Ru6 Ru(2) — 24 candidates
GT: {"O": 2, "S": 1} Pred: {"O": 1, "S": 1}
0.67
#361 1Ru Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2}
0.67
#362 2Ru Ru(2) — 30 candidates
GT: {"O": 2, "S": 1} Pred: {"O": 1, "S": 1}
0.67
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