3
Candidates
{"N": 6}
Ground Truth
{"N": 12}
Top-1 Prediction
0.500
Match Score
⚠ 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
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
1.00 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1
TOP-1
0.22 ± 0.44
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#1
TOP-1
0.21 ± 0.44
c1cc2ccc3ccc[n]4->[Ru+2]56(<-[n](c1)c2c34)(<-[n]1cccc2ccc3ccc[n]->5c3c21)<-[n]1cccc2ccc3ccc[n]->6c3c...
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.26 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#2
0.01 ± 0.01
[Ru+2]<-[n]1cccc2ccc3cccnc3c21
#2
0.03 ± 0.06
C1=Nc2c(ccc3cccnc23)[CH]2[CH]1[Ru+2]21<-[n]2cccc3ccc4ccc[n]->1c4c32
#2
0.10 ± 0.22
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]34(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]3cccc5ccc6ccc[n]->4c6c53)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12
#3
0.03 ± 0.00
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c12