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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
#4807 S2-bnn Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#4809 S3-bpz Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#4811 S3-bnn Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#4819 RuCXB Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.67
#5705 PC9 Ir(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.67
#5955 Ir-3 Ir(3) — 3 candidates
GT: {"N": 7, "O": 1} Pred: {"N": 8, "O": 3, "S": 1}
0.67
#6319 5 Re(1) — 2 candidates
GT: {"O": 5, "N": 1} Pred: {"O": 3, "N": 1}
0.67
#6324 10 Re(1) — 2 candidates
GT: {"O": 5, "N": 1} Pred: {"O": 3, "N": 1}
0.67
#6329 15 Re(1) — 2 candidates
GT: {"O": 5, "N": 1} Pred: {"O": 3, "N": 1}
0.67
#6342 3 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 3, "O": 1}
0.67
#6370 1 Re(5) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.67
#6371 2 Re(5) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.67
#6493 Os1 Os(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 9}
0.67
#6705 Os-1 Os(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#6706 Os-2 Os(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#6709 Os-5 Os(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 12}
0.67
#6828 7 Rh(3) — 3 candidates
GT: {"S": 2, "N": 6} Pred: {"N": 7, "S": 5}
0.67
#6853 3 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 5, "O": 1}
0.67
#6854 7 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 5, "O": 1}
0.67
#6860 Rh-2 Rh(3) — 1 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#6864 Rh-6 Rh(3) — 1 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#6865 Rh-7 Rh(3) — 1 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#6866 Rh-8 Rh(3) — 1 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#6869 Rh-11 Rh(3) — 1 candidates
GT: {"O": 1, "N": 2} Pred: {"O": 1, "N": 1}
0.67
#207 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 11}
0.64
#704 Ru-DPPE-5FU Ru(2) — 3 candidates
GT: {"O": 1, "N": 2, "P": 4} Pred: {"O": 3, "N": 3, "P": 5}
0.64
#721 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 11}
0.64
#786 2,Ru2 Ru(2) — 3 candidates
GT: {"N": 2, "S": 1, "P": 4} Pred: {"N": 3, "S": 3, "P": 5}
0.64
#934 2 Ru(2) — 3 candidates
GT: {"N": 4, "S": 2, "P": 2} Pred: {"N": 3, "S": 5, "P": 2}
0.64
#1134 Kaempferol-based Ru(II) complex Ru(2) — 4 candidates
GT: {"S": 3, "O": 4} Pred: {"O": 6, "S": 5}
0.64
#2177 3 Ru(2) — 3 candidates
GT: {"N": 4, "S": 2, "P": 2} Pred: {"N": 3, "S": 5, "P": 2}
0.64
#2178 4,2 Ru(2) — 3 candidates
GT: {"N": 4, "S": 2, "P": 2} Pred: {"S": 5, "N": 3, "P": 2}
0.64
#2313 1 Ru(2) — 4 candidates
GT: {"S": 3, "O": 4} Pred: {"O": 6, "S": 5}
0.64
#2620 4 Ru(2) — 3 candidates
GT: {"S": 1, "N": 2, "P": 4} Pred: {"S": 3, "N": 3, "P": 5}
0.64
#3778 3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 10, "O": 1}
0.64
#4042 [Ru(l-Trp-H)(dppb)(phen)]PF6 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "N": 4, "P": 4}
0.64
#154 Ru-1,1,4 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
#155 Ru-2 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
#835 K1,Ru2,2a Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
#1152 3 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7, "O": 1}
0.62
#1154 5 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7, "O": 1}
0.62
#1155 6 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 6, "O": 2}
0.62
#1156 7 Ru(3) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7, "O": 1}
0.62
#1171 Ru2 Ru(2) — 2 candidates
GT: {"N": 8} Pred: {"N": 5}
0.62
#1203 2,5 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
#1204 3,6 Ru(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 8}
0.62
#1205 4 Ru(2) — 2 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 7, "O": 1}
0.62
#1424 Ru1 Ru(2) — 2 candidates
GT: {"N": 4, "S": 1, "O": 1} Pred: {"N": 6, "S": 1}
0.62
#1610 4 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 4, "S": 2, "N": 1}
0.62
#1611 5 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 2} Pred: {"O": 4, "S": 2, "N": 1}
0.62
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