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
#1478 1 Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 2} Pred: {"N": 2}
0.29
#1495 4 Ru(3) — 2 candidates
GT: {"N": 4, "O": 2} Pred: {"O": 3}
0.29
#1719 Complex 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
#1720 Complex 2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
#1721 Complex 3 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
#1722 Complex 4 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
#1736 1a Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1, "N": 1}
0.29
#1845 Complex 5 Ru(2) — 1 candidates
GT: {"N": 3, "O": 2, "P": 2} Pred: {"O": 1, "N": 1}
0.29
#1990 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
#1991 2 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "As": 2} Pred: {"N": 1, "S": 1}
0.29
#2124 [Ru(CO)(PPh3)L1] Ru(2) — 1 candidates
GT: {"N": 3, "O": 3, "P": 1} Pred: {"O": 2}
0.29
#2125 [Ru(CO)(PPh3)L2] Ru(2) — 1 candidates
GT: {"N": 3, "O": 3, "P": 1} Pred: {"O": 2}
0.29
#2126 [Ru(CO)(PPh3)L3] Ru(2) — 1 candidates
GT: {"N": 3, "O": 3, "P": 1} Pred: {"O": 2}
0.29
#2127 [Ru(CO)(AsPh3)L4] Ru(2) — 1 candidates
GT: {"N": 3, "O": 3, "As": 1} Pred: {"O": 2}
0.29
#2562 1 Ru(2) — 3 candidates
GT: {"N": 4, "O": 1} Pred: {"N": 13}
0.29
#2741 2 Ru(2) — 5 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 15, "O": 6}
0.29
#4176 5 Ru(3) — 2 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 1} Pred: {"S": 2, "P": 1}
0.29
#4241 RuDPNI Ru(3) — 2 candidates
GT: {"S": 1, "O": 1, "N": 3} Pred: {"S": 2, "O": 2}
0.29
#4627 Complex 4 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.29
#6134 Re4 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6154 8 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6184 5 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6187 8 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6197 3b,ReL2 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6198 3c Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6316 2 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6318 4 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6321 7 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6323 9 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6326 12 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6328 14 Re(1) — 1 candidates
GT: {"O": 4, "N": 3} Pred: {"O": 1, "N": 1}
0.29
#6330 4 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6331 5 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6341 6 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6343 Re1 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"O": 1, "N": 1}
0.29
#6344 Re2 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"O": 1, "N": 1}
0.29
#6346 Re4 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"O": 1, "N": 1}
0.29
#6373 ReL1 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 2}
0.29
#6824 3 Rh(3) — 3 candidates
GT: {"N": 4, "S": 2} Pred: {"S": 10, "N": 2}
0.29
#4338 2 Ru(2) — 5 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 17}
0.28
#57 3 Ru(2) — 3 candidates
GT: {"S": 1, "O": 2, "N": 2} Pred: {"S": 6, "N": 3}
0.27
#443 6 a Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 2} Pred: {"P": 3, "O": 4}
0.27
#833 D1 Ru(2) — 3 candidates
GT: {"N": 3, "S": 3, "O": 2} Pred: {"S": 6}
0.27
#1830 2a Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 2} Pred: {"P": 3, "O": 4}
0.27
#3395 4 Ru(2) — 3 candidates
GT: {"N": 5, "P": 1} Pred: {"P": 5, "N": 2, "S": 1}
0.27
#4074 1 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"O": 14, "N": 6}
0.27
#4075 2 Ru(2) — 4 candidates
GT: {"N": 8} Pred: {"O": 14, "N": 6}
0.27
#6393 5 a Os(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 2} Pred: {"P": 3, "O": 4}
0.27
#1108 (2) Ru(2) — 4 candidates
GT: {"O": 1, "P": 2, "N": 2} Pred: {"O": 8, "P": 5, "N": 1}
0.27
#3057 4 Ru(2) — 4 candidates
GT: {"O": 1, "P": 2, "N": 2} Pred: {"O": 8, "P": 5, "N": 1}
0.27
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