homecomplexesD-MPNN

D-MPNN Donor Prediction

rdmetallics.net (363) — 363 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
104
Exact (1.0)
250
Partial (>0)
9
No match
0.742
Mean score
Reset
#153 RuL4 Ru(2) — 114 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#159 Ru1 Ru(2) — 17 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#163 Ru5 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#167 Complex 1,11a Ru(2) — 93 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#168 Complex 2,11m Ru(2) — 94 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#169 Complex 3 Ru(2) — 95 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#171 4b Ru(2) — 4 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#174 4e Ru(2) — 34 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#175 4f Ru(2) — 28 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#176 4g Ru(2) — 37 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#177 4h Ru(2) — 33 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#178 4i Ru(2) — 33 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#179 4j Ru(2) — 26 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#180 4k Ru(2) — 25 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#181 4l Ru(2) — 33 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#184 4o Ru(2) — 40 candidates
GT: {"O": 2, "N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#185 4p Ru(2) — 40 candidates
GT: {"O": 1, "N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#186 4q Ru(2) — 32 candidates
GT: {"O": 1, "N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#187 4r Ru(2) — 43 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#190 [1c]Cl,[1c](BF4),4c,[(h6 -p-cymene)RuCl(2,20 -PyBIm)]PF6 Ru(2) — 51 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#191 [2c]Cl Ru(2) — 51 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#192 [3c]Cl Ru(2) — 16 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#193 [6c] Ru(2) — 53 candidates
GT: {"N": 3} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#194 [7c] Ru(2) — 64 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#223 2 Ru(2) — 62 candidates
GT: {"N": 1, "O": 1} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#237 [(η6-p-cym)Ru(tmtp)Cl2] (1) Ru(2) — 10 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#241 C1 Ru(2) — 52 candidates
GT: {"O": 1} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#242 C2 Ru(2) — 73 candidates
GT: {"O": 1, "P": 1} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#244 P2,8b,R8,R-3a Ru(2) — 25 candidates
GT: {"P": 1} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#274 1[PF6] Ru(2) — 9 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#275 3[NO3] Ru(2) — 15 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#300 1 Ru(2) — 88 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#301 2 Ru(2) — 115 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#308 Ru-IM (1),Ru-IM Ru(2) — 51 candidates
GT: {"N": 2, "P": 1} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#314 RuL1,4h Ru(2) — 70 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#317 RuL4,19a Ru(2) — 47 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#318 RuL5 Ru(2) — 45 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#319 RuL6 Ru(2) — 54 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#320 RuL7 Ru(2) — 57 candidates
GT: {"O": 1, "N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#321 4a Ru(2) — 59 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#323 4c Ru(2) — 42 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#325 4e Ru(2) — 41 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#327 4g Ru(2) — 51 candidates
GT: {"O": 1, "N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#328 4i Ru(2) — 69 candidates
GT: {"N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#329 4j Ru(2) — 55 candidates
GT: {"O": 1, "N": 4} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#1025 [2]NO3 Ru(2) — 4 candidates
GT: {"N": 2} Pred: {}
0.35
Candidates → Complex detail MOL 3D Viewer
#94 9 Ru(2) — 26 candidates
GT: {"P": 2, "N": 6} Pred: {"O": 1, "N": 3, "P": 1}
0.31
Candidates → Complex detail MOL 3D Viewer
#160 Ru2 Ru(2) — 17 candidates
GT: {"N": 2} Pred: {"N": 1}
0.23
Candidates → Complex detail MOL 3D Viewer
#976 Ru2 Ru(2) — 13 candidates
GT: {"N": 6, "S": 1} Pred: {"S": 2}
0.21
Candidates → Complex detail MOL 3D Viewer
#188 [1a]Cl Ru(2) — 60 candidates
GT: {"O": 2, "N": 3} Pred: {"O": 1}
0.17
Candidates → Complex detail MOL 3D Viewer
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