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
Reset
#3947 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3948 2 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3949 3 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3950 4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3951 5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3952 6 Ru(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1, "O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#3960 RuLLL-tazpy Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3962 [Ru(CO)Cl(PPh3)L] Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "P": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3963 [Ru(CO)Cl(AsPh3)L] Ru(2) — 0 candidates
GT: {"O": 2, "N": 2, "As": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3964 [Ru(CO)Cl(Py)L] Ru(2) — 0 candidates
GT: {"O": 2, "N": 3} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#3969 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3970 2 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3971 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3972 4 Ru(2) — 2 candidates
GT: {"N": 6} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3980 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3981 2 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3982 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3983 4 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3984 5 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3985 6 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#3986 7 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3987 8 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3988 2 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3989 3 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3990 4 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3991 5 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3992 6 Ru(2) — 2 candidates
GT: {"O": 2, "N": 2} Pred: {"O": 4, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#3997 2 Ru(3) — 0 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4000 5 Ru(3) — 0 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4001 6 Ru(3) — 0 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#4002 1 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#4005 3 Ru(3) — 2 candidates
GT: {"O": 1, "N": 3, "As": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4006 4 Ru(3) — 2 candidates
GT: {"O": 1, "N": 3, "As": 1} Pred: {"O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4008 3a Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4009 3b Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4010 3c Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4011 3d Ru(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4017 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4018 2 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4019 3 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4020 4 Ru(2) — 2 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#4021 5 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4022 6 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4025 3a Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4026 3b Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4030 4 Ru(2) — 2 candidates
GT: {"O": 2, "N": 1} Pred: {"O": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#4031 1 Ru(2) — 3 candidates
GT: {"N": 3} Pred: {"N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#4032 1 Ru(2) — 2 candidates
GT: {"N": 2} Pred: {"O": 2, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#4035 1 Ru(2) — 3 candidates
GT: {"O": 1, "P": 2, "N": 2} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#4045 3 Ru(2) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
«‹ 88899091929394959697 ›» 93/142 (7058 total)