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
Reset
#2570 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#2571 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#2615 6a Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#2616 6b Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3242 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3243 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3244 1,2 b Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3370 2,1 b Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3379 [Ru(phen)2BrIPC]2+ (1) Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#3380 [Ru(bpy)2BrIPC]2+ (2) Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#4544 [Ru(phen)2p-FPIP]2+ Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#4545 [Ru(bpy)2p-FPIP]2+ Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 15}
0.53
Candidates → Complex detail MOL 3D Viewer
#46 3 Ru(2) — 2 candidates
GT: {"N": 5, "P": 1} Pred: {"N": 2, "P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#55 1c Ru(2) — 3 candidates
GT: {"S": 2, "O": 4} Pred: {"S": 6, "O": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#56 2c Ru(2) — 3 candidates
GT: {"S": 2, "O": 4} Pred: {"S": 6, "O": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#71 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 6, "N": 8}
0.50
Candidates → Complex detail MOL 3D Viewer
#95 Ru1 Ru(2) — 3 candidates
GT: {"S": 1, "N": 2, "P": 3} Pred: {"N": 4, "S": 3, "P": 5}
0.50
Candidates → Complex detail MOL 3D Viewer
#138 3,2,C1 [Ru(bpy)₂(dmbpy)]Cl₂,S2-bpy Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#139 RdU Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#140 [Ru(bpy)3]2+,RBMN,Ru(bpy)3 2+,1,RuB,Ru1,B3,Ru-1a,Rubpy,S1-bpy Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#165 Ru-Sora Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 3, "N": 9}
0.50
Candidates → Complex detail MOL 3D Viewer
#219 [Ru(Hdpa)2(mdpq)]2+ 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#268 Complex 5 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#302 1 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 6, "S": 3, "P": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#303 2 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 6, "S": 3, "P": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#304 3 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 6, "S": 3, "P": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#311 1,Ru4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#312 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#331 RPC1,[Ru(phen)3]2+,5,2,P3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#339 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#340 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#400 2a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"O": 3, "N": 9}
0.50
Candidates → Complex detail MOL 3D Viewer
#410 Ru-pip Ru(3) — 2 candidates
GT: {"N": 5, "S": 1, "O": 1} Pred: {"O": 2, "N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#478 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#480 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#481 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#483 7,1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#653 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#667 Ru5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#705 1,8 Ru(2) — 3 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 6, "N": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#720 1,6,Ru,[Ru(dip)2(CH3bpy-CH3)]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#732 1A,[Ru(bpy)2 (66′bpy(OH)2 )]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#733 2A Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#734 3A Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#735 4A Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#774 (4) Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 8, "P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#777 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#780 Ru6 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#796 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#797 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
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