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
#329 4j Ru(2) — 30 candidates
GT: {"N": 1, "O": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#333 Ru(bpy)2Cl2,(bpy)2Ru(II)Cl2·2H2O,Clbp,FOR000,cis-[Ru(bpy)2Cl2],Rubpy2Cl2,Cis-[Ru(bpy)2Cl2],cis-[Ru(bipy)2Cl2],1a Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#334 Ru(phen)2Cl2,Clph,FOR020,cis-[Ru(phen)2Cl2],Cis-[Ru(phen)2Cl2] Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#335 Ru1 Ru(2) — 26 candidates
GT: {"O": 5} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#337 Ru3 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#338 Ru4 Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#339 Ru1 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#340 Ru2 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#341 Ru3 Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#348 Complex 1 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#349 Complex 4 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#350 Complex 7 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#351 Ru1 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#352 Ru2 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#353 Ru3 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#354 Ru4,RT111 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#355 Ru5,RT118 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#356 Ru6,RT150 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#357 Ru7,RT151 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#358 Ru8,RT130 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#359 Ru9,RT131 Ru(2) — 30 candidates
GT: {"P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#367 3c Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#376 C1 Ru(2) — 30 candidates
GT: {"N": 2, "O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#377 C2 Ru(2) — 23 candidates
GT: {"N": 2, "O": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#378 C3 Ru(2) — 30 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#381 2 Ru(2) — 30 candidates
GT: {"O": 3, "P": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#382 Ru(II)-1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#383 Ru(II)-2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#391 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#392 2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#394 1 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#395 2 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#396 4 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#397 5 Ru(2) — 30 candidates
GT: {"O": 1} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#400 2a Ru(2) — 30 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#403 JHOR10,JHOR11 Ru(2) — 28 candidates
GT: {"O": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#404 Ru-cipro Ru(3) — 9 candidates
GT: {"O": 4, "N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#405 Ru-nf Ru(3) — 9 candidates
GT: {"O": 4, "N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#406 Ru-levo Ru(3) — 7 candidates
GT: {"O": 4, "N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#407 Ru-oflo Ru(3) — 7 candidates
GT: {"N": 1, "O": 4} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#408 Ru-enro Ru(3) — 8 candidates
GT: {"O": 4} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#409 Ru-enoxa Ru(3) — 12 candidates
GT: {"O": 4, "N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#410 Ru-pip Ru(3) — 16 candidates
GT: {"O": 4, "N": 1} Pred: {"S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#411 Complex 1 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#412 Complex 2 Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#414 Ru2 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#415 RANHC-I Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#416 RANHC-II Ru(2) — 30 candidates
GT: {"I": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#417 RANHC-III Ru(2) — 30 candidates
GT: {"Cl": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#419 RANHC-V Ru(2) — 30 candidates
GT: {"Cl": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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