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
Reset
#63 Ru4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#67 Ru8 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#68 Ru9 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#69 Ru10 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#75 Ru2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#86 1 Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#136 1 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#137 2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#155 Ru-2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#156 Δ-Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#157 RDC11 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#199 1 Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#200 2 Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#223 2 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#226 5 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#235 Ru1,RubpyImH Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#236 Ru2,1 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#276 Ru1 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#277 Ru2 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#282 Ru7 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#283 Ru8 Ru(2) — 23 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#285 Ru10 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#286 Ru11 Ru(2) — 23 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#287 Ru12 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#289 Ru14 Ru(2) — 23 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#290 Ru15 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#291 Ru16 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#292 Ru17 Ru(2) — 23 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#421 [Ru(C6H6)L1Cl] (4) Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1, "N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#447 1,1 a Ru(2) — 29 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1, "S": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#449 3,1a Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#453 7 Ru(2) — 24 candidates
GT: {"O": 2} Pred: {"O": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#471 [(η6-p-cymene)Ru(L4)Cl] (Ru4) Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#480 4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#515 2,2h Ru(2) — 16 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#516 3 Ru(2) — 10 candidates
GT: {"O": 1, "S": 1} Pred: {"S": 1, "O": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#518 Ru2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#519 3a Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#523 3j Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"O": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#529 2a,3a Ru(2) — 16 candidates
GT: {"S": 2} Pred: {"S": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#531 2c Ru(2) — 10 candidates
GT: {"S": 2} Pred: {"S": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#543 2 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"P": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#544 3 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"P": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#581 Ru8 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#597 2b,3b Ru(2) — 6 candidates
GT: N:1,S:1 Pred: N:1,S:1
1.00
Candidates → Complex detail MOL 3D Viewer
#598 2a,3a Ru(2) — 6 candidates
GT: N:1,S:1 Pred: N:1,S:1
1.00
Candidates → Complex detail MOL 3D Viewer
#632 Ru-N3 Ru(2) — 26 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#650 2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
1.00
Candidates → Complex detail MOL 3D Viewer
#656 4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
#662 Complex B Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 2}
1.00
Candidates → Complex detail MOL 3D Viewer
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