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
#81 4 Ru(2) — 68 candidates
GT: {"N": 2, "O": 3, "P": 2} Pred: {"O": 1, "P": 2, "S": 1, "N": 1}
0.63
#195 1 Ru(2) — 49 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.63
#198 4 Ru(2) — 37 candidates
GT: {"O": 1, "N": 2} Pred: {"N": 1, "O": 1}
0.63
#287 Ru12 Ru(2) — 24 candidates
GT: {"O": 1} Pred: {"O": 1, "S": 1}
0.63
#147 1 Ru(2) — 88 candidates
GT: {"O": 1, "P": 4} Pred: {"O": 2, "P": 4}
0.62
#284 Ru9 Ru(2) — 24 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.62
#290 Ru15 Ru(2) — 24 candidates
GT: {"O": 1} Pred: {"S": 1, "O": 1}
0.62
#335 Ru1 Ru(2) — 21 candidates
GT: {"O": 3, "S": 2} Pred: {"O": 2}
0.62
#336 Ru2 Ru(2) — 55 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.62
#337 Ru3 Ru(2) — 49 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.62
#338 Ru4 Ru(2) — 107 candidates
GT: {"O": 1, "N": 4} Pred: {"O": 2}
0.62
#106 3 Ru(2) — 28 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 1, "O": 1}
0.57
#109 6 Ru(2) — 25 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 1, "O": 1}
0.57
#122 Ru2 Ru(2) — 109 candidates
GT: {"O": 1, "N": 2, "P": 2} Pred: {"O": 2}
0.56
#105 2 Ru(2) — 28 candidates
GT: {"O": 1, "N": 3} Pred: {"N": 1, "O": 1}
0.55
#224 3 Ru(2) — 36 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.55
#104 1 Ru(2) — 38 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 1, "N": 1}
0.54
#226 5 Ru(2) — 52 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.52
#227 6 Ru(2) — 52 candidates
GT: {"N": 2, "O": 1} Pred: {"O": 1, "N": 1}
0.50
#139 RdU Ru(2) — 98 candidates
GT: {"N": 6} Pred: {"N": 2}
0.46
#165 Ru-Sora Ru(2) — 70 candidates
GT: {"N": 5, "O": 1} Pred: {"O": 1, "N": 3}
0.42
#97 Ru3 Ru(2) — 83 candidates
GT: {"N": 3, "S": 1, "P": 2} Pred: {"N": 1, "S": 1}
0.41
#124 8,3e Ru(2) — 73 candidates
GT: {"O": 1} Pred: {"O": 2}
0.40
#125 9,3d Ru(2) — 59 candidates
GT: {"O": 1} Pred: {"O": 2}
0.40
#126 10,3g Ru(2) — 59 candidates
GT: {"O": 1} Pred: {"O": 2}
0.40
#129 13,3c,1aCym Ru(2) — 43 candidates
GT: {"O": 1} Pred: {"O": 2}
0.40
#130 14,3f,3d Ru(2) — 43 candidates
GT: {"O": 1} Pred: {"O": 2}
0.40
#271 4[NO3] Ru(2) — 13 candidates
GT: {"N": 2} Pred: {"N": 2}
0.39
#273 6[CF3SO3] Ru(2) — 13 candidates
GT: {"N": 2} Pred: {"N": 2}
0.39
#222 1 Ru(2) — 43 candidates
GT: {"N": 1, "O": 1} Pred: {"O": 1, "N": 1}
0.36
#15 1 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {"S": 1, "P": 1}
0.35
#16 2 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#17 3 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {"S": 1, "P": 1}
0.35
#18 4 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#19 5 Ru(2) — 55 candidates
GT: {"P": 1} Pred: {}
0.35
#20 6 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#21 7 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#22 8 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#23 9 Ru(2) — 54 candidates
GT: {"P": 1} Pred: {}
0.35
#101 4 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
#102 5 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
#107 4 Ru(2) — 35 candidates
GT: {"O": 1, "N": 3} Pred: {}
0.35
#108 5 Ru(2) — 4 candidates
GT: {"O": 1, "N": 3} Pred: {}
0.35
#114 5 Ru(2) — 37 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
#115 6 Ru(2) — 4 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
#116 7 Ru(2) — 24 candidates
GT: {"O": 1, "N": 2} Pred: {}
0.35
#120 5 Ru(2) — 138 candidates
GT: {"P": 2} Pred: {}
0.35
#150 RuL1,[(η6-p-Cymene)Ru(aip)Cl]PF6 (3) Ru(2) — 92 candidates
GT: {"N": 4} Pred: {}
0.35
#151 RuL2 Ru(2) — 72 candidates
GT: {"N": 4} Pred: {}
0.35
#152 RuL3,RAWQ03 Ru(2) — 69 candidates
GT: {"N": 5} Pred: {}
0.35
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