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
#3448 [Ru(pymS)(dppe)₂]PF₆ (2) Ru(2) — 3 candidates
GT: {"S": 1, "N": 2, "P": 4} Pred: {"S": 3, "N": 3, "P": 6}
0.58
#3491 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3493 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3542 Ru-mBDP Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3600 Ru(l-Trp) (9) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}
0.58
#3643 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3644 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3671 RuphenBiHim Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#3874 Ru 1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9, "S": 3}
0.58
#3875 Ru 2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 9, "S": 3}
0.58
#3876 Ru 3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#3877 Ru 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#3878 Ru 9 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 9}
0.58
#3879 Ru 10 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 9}
0.58
#3880 Ru 11 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#3881 Ru 12 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#4109 [Ru(bpy)2(dphol)][PF6] (1) Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 9}
0.58
#4110 [Ru(phen)2(dphol)][PF6] (2) Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 3, "N": 9}
0.58
#4305 2 Ru(2) — 3 candidates
GT: {"O": 1, "N": 6} Pred: {"O": 6, "N": 6}
0.58
#4360 Ru1 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4361 Ru2 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4362 Ru3 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4590 (1) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 2}
0.58
#4592 (3) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"O": 3, "S": 3, "N": 4, "P": 2}
0.58
#4629 4 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4684 Ru-H Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4685 Ru-Me Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4704 RuNMe Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4706 RuCN Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"N": 12}
0.58
#4730 Ru-5 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 9}
0.58
#4731 Ru-6 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"S": 3, "N": 9}
0.58
#4763 Ru-7 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#4764 Ru-8 Ru(2) — 3 candidates
GT: {"N": 7} Pred: {"O": 3, "N": 9}
0.58
#4768 [Ru(L-Trp-H)(dppb)(4'-MeObipy)]PF₆ (4) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}
0.58
#4777 [Ru(L-Trp-H)(dppp)(5'-Mebipy)]PF₆ (13) Ru(2) — 3 candidates
GT: {"N": 4, "O": 1, "P": 2} Pred: {"N": 8, "O": 2, "P": 2}
0.58
#409 Ru-enoxa Ru(3) — 2 candidates
GT: {"N": 4, "S": 1, "O": 1} Pred: {"O": 2, "N": 2, "S": 1}
0.57
#695 QY2 Ru(2) — 3 candidates
GT: {"S": 2, "O": 2, "N": 1} Pred: {"O": 4, "S": 2}
0.57
#803 Hmxbato Ru(2) — 3 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 3, "P": 3}
0.57
#1593 4a,5,Ru(bpy)2BnDPPZ Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#1608 4 Ru(2) — 3 candidates
GT: {"S": 4, "N": 2, "O": 2} Pred: {"S": 10, "O": 2, "N": 2}
0.57
#2074 RuBmp,2a Ru(2) — 2 candidates
GT: {"N": 7} Pred: {"N": 4}
0.57
#2175 1 Ru(2) — 4 candidates
GT: {"N": 4, "S": 2, "P": 2} Pred: {"N": 4, "S": 7, "P": 3}
0.57
#2176 2,1 Ru(2) — 4 candidates
GT: {"N": 4, "S": 2, "P": 2} Pred: {"S": 7, "N": 4, "P": 3}
0.57
#2315 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#2739 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#3510 Ru1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#3585 [Ru (5,6-dmp)2(dpq)]2+ 1 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#3586 [Ru (5,6-dmp)2(dppz)]2+ 2 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#3587 [Ru (5,6-dmp)2(dmdppz)]2+ 3 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
#3588 [Ru (3,4,7,8-tmp)2(dpq)]2+ 4 Ru(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 14}
0.57
« 12131415161718192021 » 17/142 (7058 total)