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
#702 4 Ru(3) — 5 candidates
GT: {"N": 5, "O": 3} Pred: {"N": 9, "O": 11}
0.40
#775 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#776 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#781 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#783 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#842 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#843 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#882 Complex 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 3, "P": 4} Pred: {"O": 3, "P": 3}
0.40
#1344 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1347 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1372 6 Ru(2) — 2 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 3}
0.40
#1373 7 Ru(2) — 2 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 3}
0.40
#1374 8 Ru(2) — 2 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 3}
0.40
#1405 1a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 1}
0.40
#1406 2a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 1}
0.40
#1407 3a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 1}
0.40
#1408 4a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 1}
0.40
#1409 5a Ru(2) — 2 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 3, "N": 1}
0.40
#1413 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1414 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1415 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1492 1 Ru(3) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 3}
0.40
#1493 2 Ru(3) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 3}
0.40
#1494 3 Ru(3) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 3}
0.40
#1504 3 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 20}
0.40
#1507 6 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"N": 20}
0.40
#1536 Complex 1,[Ru(bpy)2p-CPIP]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1537 Complex 2,[Ru(phen)2p-CPIP]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1539 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1853 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#1883 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#2003 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#2111 1 Ru(2) — 3 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"N": 6, "S": 3}
0.40
#2208 RuMet,Complex 5,Complex 1 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "S": 3, "P": 2}
0.40
#2302 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#2332 2 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 2, "N": 1}
0.40
#2333 3 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 2, "N": 1}
0.40
#2374 [RuCl2(PTA)([9]aneS3)] (4) Ru(2) — 2 candidates
GT: {"S": 3, "N": 3, "P": 1} Pred: {"S": 6, "P": 1}
0.40
#2377 1a Ru(3) — 4 candidates
GT: {"N": 4, "O": 4} Pred: {"O": 13, "N": 7}
0.40
#2567 4 Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 2} Pred: {"S": 2, "N": 1}
0.40
#2788 RPB Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#2881 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#3127 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 15}
0.40
#3174 3,Ru1 Ru(2) — 5 candidates
GT: {"N": 8} Pred: {"N": 20}
0.40
#3269 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"O": 2, "N": 2}
0.40
#3342 1 Ru(2) — 1 candidates
GT: {"N": 1, "O": 4} Pred: {"N": 1, "O": 1}
0.40
#3343 2 Ru(2) — 1 candidates
GT: {"N": 1, "O": 4} Pred: {"N": 1, "O": 1}
0.40
#3344 3 Ru(2) — 1 candidates
GT: {"N": 1, "O": 4} Pred: {"N": 1, "O": 1}
0.40
#3345 4 Ru(2) — 1 candidates
GT: {"N": 1, "O": 4} Pred: {"N": 1, "O": 1}
0.40
#3346 5 Ru(2) — 1 candidates
GT: {"N": 1, "O": 4} Pred: {"O": 1, "N": 1}
0.40
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