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
#3026 9 Ru(2) — 3 candidates
GT: {"N": 3, "S": 2, "O": 2} Pred: {"N": 9, "S": 3}
0.36
#4281 3 Ru(2) — 3 candidates
GT: {"S": 5, "O": 2} Pred: {"S": 12}
0.36
#4462 2 Ru(2) — 4 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 10, "P": 3}
0.36
#52 2a Ru(2) — 4 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 14, "S": 3}
0.35
#53 1b Ru(2) — 4 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 14, "S": 3}
0.35
#54 2b Ru(2) — 4 candidates
GT: {"O": 4, "S": 2} Pred: {"O": 14, "S": 3}
0.35
#1059 3 Ru(2) — 4 candidates
GT: {"S": 1, "N": 3, "P": 2} Pred: {"N": 10, "S": 4, "P": 3}
0.35
#1312 3(2+) Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 17}
0.35
#2632 2 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 17}
0.35
#3409 2 Ru(2) — 4 candidates
GT: {"S": 1, "N": 4, "P": 1} Pred: {"S": 4, "N": 10, "P": 3}
0.35
#3831 RMC2 Ru(2) — 5 candidates
GT: {"N": 6} Pred: {"N": 17}
0.35
#2378 1b Ru(3) — 4 candidates
GT: {"O": 4, "N": 4} Pred: {"O": 16, "N": 3}
0.35
#14 6 Ru(2) — 4 candidates
GT: {"N": 4, "P": 1} Pred: {"N": 10, "P": 5}
0.33
#259 1,Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#401 2b Ru(2) — 1 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.33
#404 Ru-cipro Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"S": 2, "O": 1}
0.33
#405 Ru-nf Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"O": 2, "S": 1}
0.33
#406 Ru-levo Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"S": 2, "O": 1}
0.33
#407 Ru-oflo Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"O": 2, "S": 1}
0.33
#408 Ru-enro Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1} Pred: {"O": 2, "S": 1}
0.33
#413 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#591 1 Ru(2) — 1 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 1}
0.33
#592 2 Ru(2) — 1 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 1}
0.33
#593 3 Ru(2) — 1 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 1}
0.33
#594 4 Ru(2) — 1 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 1}
0.33
#778 Ru4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#795 9 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2, "S": 1}
0.33
#898 2a Ru(2) — 1 candidates
GT: {"N": 1, "O": 1, "P": 1} Pred: {"N": 1}
0.33
#899 2b Ru(2) — 1 candidates
GT: {"N": 1, "O": 1, "P": 1} Pred: {"N": 1}
0.33
#901 3b Ru(2) — 1 candidates
GT: {"N": 1, "O": 1, "P": 1} Pred: {"N": 1}
0.33
#973 Ru + (GT.O) Ru(3) — 1 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1}
0.33
#974 Ru + (GT.S) Ru(3) — 1 candidates
GT: {"N": 2} Pred: {"O": 1, "N": 1}
0.33
#988 Ru3 Ru(2) — 1 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"O": 1, "N": 1}
0.33
#1101 (3) Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 6, "N": 4, "P": 1}
0.33
#1231 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#1307 2 Ru(3) — 1 candidates
GT: {"N": 3} Pred: {"N": 1}
0.33
#1484 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#1485 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 18}
0.33
#1549 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 3, "O": 3}
0.33
#1550 3,1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 3, "N": 3}
0.33
#1613 C2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 14}
0.33
#1899 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 1} Pred: {"N": 1, "S": 1}
0.33
#1902 4 Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 1} Pred: {"N": 1, "O": 1}
0.33
#1984 3 Ru(2) — 1 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {"N": 2}
0.33
#1985 4 Ru(2) — 1 candidates
GT: {"O": 2, "N": 2, "As": 2} Pred: {"N": 2}
0.33
#2198 1 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 2}
0.33
#2200 4 Ru(2) — 3 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 5, "N": 2}
0.33
#2228 4 Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "S": 3, "P": 1}
0.33
#2548 1 Ru(2) — 1 candidates
GT: {"O": 2, "N": 2, "P": 2} Pred: {"N": 2}
0.33
#2549 2 Ru(2) — 1 candidates
GT: {"O": 2, "N": 2, "As": 2} Pred: {"N": 2}
0.33
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