Compare #134 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 307 candidates

Pred: C:6(eta)

#2 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.101

#2 CCCC[NH]1CC[NH](->[Ru+2]<-1)c1cccc2ccccc12 0.970

#2 CCCC[NH]1CC[NH](c2cccc3ccccc23)->[Ru+2]<-123456<-[cH]1[cH]->2[c]->3(C(C)C)[cH]->... 0.350

#3 CCCC[NH](->[Ru+2])CCNc1cccc2ccccc12 0.005

#3 CCCC[NH]1CC[NH](->[Ru+]<-1)c1cccc2ccccc12 0.930

#3 CCCC[NH]1CC[NH](c2cccc3ccccc23)->[Ru+2]<-12<-[cH]1c(C)ccc(C(C)C)[cH]->21 0.160

#4 CCCCNCCNc1ccc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->612)[cH]->73 0.001

#4 CCCC[NH](->[Ru+2])CCNc1cccc2ccccc12 0.010

#4 CCCC[NH]1CC[NH](c2cccc3ccccc23)->[Ru+2]<-1<-[cH]1cc(C)ccc1C(C)C 0.000

#5 CCCCNCCNc1cccc2c1[CH]1[Ru+2][CH]1C=C2 0.000

#5 CCCCNCCNc1cccc2c1C=C[CH]1[Ru+2][CH]21 0.000

#5 CCCC[NH]1CC[NH](c2cccc3ccccc23)->[Ru+2]<-1<-[cH]1cc(C(C)C)ccc1C 0.000

#6 CCCCNCCNc1cccc2c1cc[cH]1->[Ru+2]<-[cH]21 0.000

#6 CCCCNCCNc1ccc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->612)[cH]->73 0.000

#7 CCCCNCCNc1c2ccccc2c[cH]2->[Ru+2]<-[cH]12 0.000

#7 CCCCNCCNc1cccc2c1[CH]1[Ru+2][CH]1C=C2 0.000

#8 CCCCNCCNc1c[cH]2->[Ru+2]<-[cH]2c2ccccc12 0.000

#8 CCCCNCCNC1=c2ccccc2=C[CH]2[Ru+2][CH]12 0.000

#9 CCCCNCCNc1cccc2c[cH]3->[Ru+2]<-[cH]3cc12 0.000

#9 CCCCNCC[NH](->[Ru+2])c1cccc2ccccc12 0.000

#10 CCCCNCCNc1c2ccccc2[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#10 CCCCNCCNc1cccc2c1=C[CH]1[Ru+2][CH]1C=2 0.000

#11 CCCCNCCNc1ccc[c]23->[Ru+2]<-[c]12cccc3 0.000

#11 CCCCNCCNc1cccc2c1cc[cH]1->[Ru+2]<-[cH]21 0.000

#12 CCCCNCCNc1cccc2c[cH]3->[Ru+]4<-[cH](c12)[cH]->43 0.000

#12 CCCCNCCNc1c2ccccc2c[cH]2->[Ru+2]<-[cH]12 0.000

#13 CCCCNCCNc1cccc2c1[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41 0.000

#13 CCCCNCCNc1cccc2cc[cH]3->[Ru+2]<-[cH]3c12 0.000

#14 CCCCNCCNc1cccc2ccc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c12 0.000

#14 CCCCNCCNc1c[cH]2->[Ru+2]<-[cH]2c2ccccc12 0.000

#15 CCCCNCCNc1cccc2c1cc[cH]1->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]21 0.000

#15 CCCCNCCNc1cccc2c1[CH]1[CH]3[CH]4[CH]2[Ru+2]143 0.000

#16 CCCCNCCNc1c2c3ccc[cH]2->[Ru+2]2<-[cH](c3)[cH]->21 0.000

#16 CCCCNCCNc1cccc2c[cH]3->[Ru+2]<-[cH]3cc12 0.000

#17 CCCCNCCNc1cccc2c1cc[cH]1->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]21 0.000

#17 CCCCNCCNc1c2ccccc2[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#18 CCCCNCCNc1c2ccccc2c[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#18 CCCCNCCNc1ccc[c]23->[Ru+2]<-[c]12cccc3 0.000

#19 CCCCNCCNc1cccc2c[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3cc12 0.000

#19 CCCCNCCNc1cccc2c[cH]3->[Ru+]4<-[cH](c12)[cH]->43 0.000

#20 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4cccc(c14)[cH]->32 0.000

#20 CCCCNCCNc1cccc2c1[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41 0.000

#21 CCCCNCCNc1c2ccc[cH]3->[Ru+2]4<-[cH](cc23)[cH]->41 0.000

#21 CCCCNCCNc1cccc2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31 0.000

#22 CCCCNCCNc1cccc2cc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3c12 0.000

#22 CCCCNCCNc1c2c3ccc[cH]2->[Ru+2]2<-[cH](c3)[cH]->21 0.000

#23 CCCCNCCNc1c[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]2c2ccccc12 0.000

#23 CCCCNCCNc1c2cc[cH]3->[Ru+2]4<-[cH]1ccc2[cH]->43 0.000

#24 CCCCNCCNc1cccc2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cc12 0.000

#24 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4cccc(c14)[cH]->32 0.000

#25 CCCCNCCNc1c2cc[cH]3->[Ru+2]4<-[cH](cc2c3)[cH]->41 0.000

#25 CCCCNCCNc1c2ccc[cH]3->[Ru+2]4<-[cH](cc23)[cH]->41 0.000

#26 CCCCNCCNc1c2c[cH]3->[Ru+2]4<-[cH]1ccc2c[cH]->43 0.000

#26 CCCCNCCNc1c2c3cc[cH]1->[Ru+2]1<-[cH](cc3)[cH]->12 0.000

#27 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4ccc(c1c4)[cH]->32 0.000

#27 CCCCNCCNc1cc[cH]2->[Ru+2]3<-[cH]4ccc2c1[cH]->34 0.000

#28 CCCCNCCNc1cc[cH]2->[Ru+2]3<-[cH]4cc1c2c[cH]->34 0.000

#28 CCCCNCCNc1cccc2ccc[cH](->[Ru+2])c12 0.000

#29 CCCCNCCNc1cc[cH](->[Ru+2])c2ccccc12 0.000

#29 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4ccc1c(c4)[cH]->32 0.000

#30 CCCCNCCNc1cccc2c[cH](->[Ru+2])ccc12 0.000

#30 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4ccc1c(c2)[cH]->34 0.000

#31 CCCCNCCNc1c2cc[cH]3->[Ru+2]4<-[cH](cc2c3)[cH]->41 0.000

#32 CCCCNCCNc1c2c[cH]3->[Ru+2]4<-[cH](cc2cc3)[cH]->41 0.000

#33 CCCCNCCNc1c2c[cH]3->[Ru+2]4<-[cH]1ccc2c[cH]->43 0.000

#34 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4ccc(c2)c1[cH]->34 0.000

#35 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4ccc(c1c4)[cH]->32 0.000

#36 CCCCNCCNc1c2ccccc2cc[cH]1->[Ru+2] 0.000

#37 CCCCNCCNc1cccc2c1ccc[cH]2->[Ru+2] 0.000

#38 CCCCNCCNc1cc[cH](->[Ru+2])c2ccccc12 0.000

#39 CCCCNCCNc1cc[cH]2->[Ru+2]3<-[cH]4cc1c2c[cH]->34 0.000

#40 CCCCNCCNc1c[cH]2->[Ru+2]3<-[cH]4cc(c2)c1c[cH]->34 0.000

#41 CCCCNCCNc1cccc2c[cH](->[Ru+2])ccc12 0.000

#42 CCCCNCCNc1c[cH](->[Ru+2])cc2ccccc12 0.000

#43 CCCCNCCNc1cccc2cc[cH](->[Ru+2])cc12 0.000

Sequential multi-lig (v2) — 307 candidates

Pred: {"N": 4}