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
#298 Ru2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 1, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#299 Ru3 Ru(2) — 2 candidates
GT: {"O": 2, "N": 1, "P": 1} Pred: {"P": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#300 1 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#301 2 Ru(2) — 2 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#308 Ru-IM (1),Ru-IM Ru(2) — 2 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#309 Ru-IM-BODIPY (3a) Ru(2) — 2 candidates
GT: {"P": 1, "N": 3} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#310 Ru-IM-BODIPY (3b) Ru(2) — 2 candidates
GT: {"N": 5, "P": 1} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#314 RuL1,4h Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#315 RuL2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#316 RuL3,19b Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#317 RuL4,19a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#318 RuL5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#319 RuL6 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#320 RuL7 Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#321 4a Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#322 4b Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#323 4c Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#324 4d Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#325 4e Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#326 4f Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#327 4g Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"N": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#328 4i Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#329 4j Ru(2) — 2 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#338 Ru4 Ru(2) — 3 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 6, "N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#341 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#346 Ru(5) Ru(2) — 3 candidates
GT: {"N": 1, "O": 1, "P": 4} Pred: {"O": 3}
0.00
Candidates → Complex detail MOL 3D Viewer
#348 Complex 1 Ru(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#349 Complex 4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#350 Complex 7 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#351 Ru1 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#352 Ru2 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#353 Ru3 Ru(2) — 3 candidates
GT: {"N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#354 Ru4,RT111 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#355 Ru5,RT118 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#356 Ru6,RT150 Ru(2) — 3 candidates
GT: {"N": 2, "O": 1, "P": 1} Pred: {"N": 6, "O": 2, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#357 Ru7,RT151 Ru(2) — 3 candidates
GT: {"N": 2, "O": 1, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#358 Ru8,RT130 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#359 Ru9,RT131 Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 1} Pred: {"N": 4, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#360 Ru10 Ru(2) — 3 candidates
GT: {"N": 6, "O": 1, "P": 1} Pred: {"N": 6, "P": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#361 1Ru Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#362 2Ru Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#368 2d Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#369 3d,Ru2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#370 Ru-NH2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10}
0.00
Candidates → Complex detail MOL 3D Viewer
#372 1 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#373 2 Ru(2) — 2 candidates
GT: {"O": 1} Pred: {"O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#374 5 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#375 6 Ru(2) — 3 candidates
GT: {"N": 3, "P": 1, "O": 1} Pred: {"P": 3, "O": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#376 C1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#377 C2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
«‹ 42434445464748495051 ›» 47/142 (7058 total)