home← all results complex #97

Complex #97 — Ru(2) [Ru3]

GT: {"N": 3, "S": 1, "P": 2} → Top-1: {"N": 3, "S": 3, "P": 4}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"N": 3, "S": 1, "P": 2}
Ground Truth
{"N": 3, "S": 3, "P": 4}
Top-1 Prediction
0.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring. For sequential results only top-1 prediction is stored.
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.27 ± 0.00
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.41 ± 0.24
N=c1cc(N)[n]2->[Ru+][S]c2[nH]1
#1 TOP-1 0.10 ± 0.12
N=c1cc(N)[n]2->[Ru+]3([S]c2[nH]1)<-[P](CCCC[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#1 TOP-1 0.30 ± 0.36
N=c1cc(N)[n]2->[Ru+]3([S]c2[nH]1)(<-[P](CCCC[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](c1cccc...
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#2 0.12 ± 0.11
N=c1cc(N)nc([S][Ru+])[nH]1
#2 0.00 ± 0.00
N=c1cc(N)[n]2->[Ru+]345([S]c2[nH]1)[CH]1C=C(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)[CH]3[CH]4[CH]15
#2 0.28 ± 0.39
N=c1cc(N)[n]2->[Ru+]34([S]c2[nH]1)(<-[n]1ccccc1[P]->3(c1ccccc1)c1ccccc1)<-[P](CCCC[P]->4(c1ccccc1)c1...
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#3 0.01 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1