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
#6195 3b Re(1) — 1 candidates
GT: {"S": 1, "O": 3, "N": 2} Pred: {"S": 1}
0.17
#6222 H2BF Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"O": 1}
0.17
#6237 Re-pip Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6238 Re-morph Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6252 2a Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6253 3a Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6256 2b Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6257 3b Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6283 fac-[Re(et-isonic)(phen)(CO)3]+ Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6286 fac-[Re(et-isonic)(Ph2phen)(CO)3]+ Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6291 7 Re(1) — 1 candidates
GT: {"N": 2, "P": 1, "O": 3} Pred: {"O": 1}
0.17
#6302 3b Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6306 5aRe Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6307 5bRe Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6309 5dRe Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6332 Re-ART-1 Re(2) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6333 Re-ART-2 Re(2) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6334 Re-1 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6335 Re-2 Re(2) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6350 1 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6351 [Re(CO)3(bipy)(py-alkyne)]+,2 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6364 1 Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"N": 1}
0.17
#6886 1 Rh(3) — 1 candidates
GT: {"N": 6} Pred: {"N": 1}
0.17
#6888 3 Rh(3) — 1 candidates
GT: {"N": 6} Pred: {"N": 1}
0.17
#3680 3d Ru(2) — 3 candidates
GT: {"N": 4, "P": 1, "O": 1} Pred: {"P": 3, "O": 6}
0.15
#1831 2b Ru(2) — 2 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2, "O": 1}
0.14
#1832 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1}
0.14
#1941 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1}
0.14
#1989 4 Ru(2) — 2 candidates
GT: {"N": 4, "P": 1} Pred: {"P": 2, "O": 1}
0.14
#2128 1 Ru(2) — 1 candidates
GT: {"N": 3, "S": 1, "O": 1, "P": 2} Pred: {"S": 1}
0.14
#2594 [RuCl(CO)(PPh3)L1] Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 1, "P": 1} Pred: {"S": 1}
0.14
#2595 [RuCl(CO)(PPh3)L2] Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 1, "P": 1} Pred: {"S": 1}
0.14
#2596 [RuCl(CO)(PPh3)L3] Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 1, "P": 1} Pred: {"S": 1}
0.14
#2597 [RuCl(CO)(AsPh3)L3] Ru(2) — 1 candidates
GT: {"N": 4, "S": 1, "O": 1, "As": 1} Pred: {"S": 1}
0.14
#4103 5 Ru(2) — 1 candidates
GT: {"O": 2, "N": 3, "S": 1, "P": 1} Pred: {"S": 1}
0.14
#4104 6 Ru(2) — 1 candidates
GT: {"O": 2, "N": 3, "S": 1, "As": 1} Pred: {"S": 1}
0.14
#6136 Re6 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6175 1 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6176 2 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6181 2 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"N": 1}
0.14
#6182 3 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"N": 1}
0.14
#6189 10 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"N": 1}
0.14
#6190 11 Re(1) — 1 candidates
GT: {"N": 3, "O": 4} Pred: {"N": 1}
0.14
#6199 3d Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6239 Re-thio Re(1) — 1 candidates
GT: {"N": 3, "O": 3} Pred: {"S": 1, "N": 1}
0.14
#6244 LQ-Re Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6254 4a Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6258 4b Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#6365 3 Re(1) — 1 candidates
GT: {"N": 4, "O": 3} Pred: {"N": 1}
0.14
#2375 [RuCl(PTA)2([9]aneS3)][OTf] (5) Ru(2) — 3 candidates
GT: {"S": 1, "N": 3, "P": 1} Pred: {"S": 9, "P": 3}
0.13
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