Compare #397 — BiometalDB

{"N": 6}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 270 candidates

Pred: {"N": 4}

#2 c1c[n]2->[Ru+2]3(<-[n]4ccnc5ccc(n1)c2c54)<-[n]1ccnc2ccc4ncc[n]->3c4c21 0.016

#3 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2](<-[n]4ccnc5c6nccnc6ccc54)<-[n]4cccc1c4c23 0.014

#4 [Ru+2]<-[n]1ccnc2ccc3nccnc3c21 0.005

#5 c1cnc2c(ccc3c2[n]2->[Ru+2]4(<-[n]3cc2)<-[n]2cc[n]->4c3c4nccnc4ccc32)n1 0.003

#6 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2](<-[n]4ccnc5ccc6nccnc6c54)<-[n]4cccc1c4c23 0.003

#7 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]45(<-[n]6cc[n]->4c4c6ccc6ncc[n]->5c64)<-[n]4... 0.003

#8 CCCCCCCCCCC(=O)Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2]<-[n]1ccnc2c3nccnc3ccc21 0.002

#9 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5ccnc6ccc7nccnc7c65)(<-[n]5ccnc6ccc7n... 0.001

#10 CCCCCCCCCCC(=O)Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2cc[n]->1c1c3nccnc3ccc12 0.001

#11 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]45(<-[n]6ccnc7c6ccc6c7[n]->4cc[n]->56)<-[n]4... 0.001

#12 CCCCCCCCCCC(=O)Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccnc3ccc4ncc[n]->1c4c32 0.001

#13 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5ccnc6c7ncc[n]->4c7ccc65)(<-[n]4ccnc5... 0.001

#14 CCCCCCCCCCC(=O)Nc1cc2ccc[n](->[Ru+2]3(<-[n]4ccnc5c6nccnc6ccc54)<-[n]4cc[n]->3c3c... 0.001

#15 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5ccnc6c5ccc5ncc[n]->4c56)(<-[n]4ccnc5... 0.000

#16 CCCCCCCCCCC(=O)Nc1cc2ccc[n](->[Ru+2]3(<-[n]4ccnc5c6nccnc6ccc54)<-[n]4ccnc5c6ncc[... 0.000

#17 CCCCCCCCCCC(=O)Nc1cc2ccc[n](->[Ru+2]<-[n]3ccnc4ccc5nccnc5c43)c2c2ncccc12 0.000

#18 CCCCCCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]24)<-[n]2cccc1c32 0.000

#19 CCCCCCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]4<-[cH]5cnc(c1[cH]->45)c23 0.000

#20 CCCCCCCCCCC(=O)Nc1cc2ccc[n](->[Ru+2]3(<-[n]4ccnc5c6ncc[n]->3c6ccc54)<-[n]3ccnc4c... 0.000

#21 c1cnc2c(ccc3ncc[n](->[Ru+2]<-[n]4ccnc5ccc6nccnc6c54)c32)n1 0.000

#22 CCCCCCCCCCC(=O)Nc1cc2c(nc[cH]3->[Ru+2](<-[cH]23)<-[n]2ccnc3c4nccnc4ccc32)c2ncccc... 0.000

#23 CCCCCCCCCCC(=O)Nc1cc2cccnc2c2nc[cH]3->[Ru+2](<-[cH]3c12)<-[n]1ccnc2c3nccnc3ccc21 0.000

#24 CCCCCCCCCCC(=O)Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2](<-[n]1ccnc2c3nccnc3ccc21)<-[n]1cc... 0.000

#25 CCCCCCCCCCC(=O)Nc1c2cccnc2c2ncccc2[cH]1->[Ru+2]1<-[cH]2c3nccnc3c3nccnc3[cH]->12 0.000

#26 CCCCCCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]5ccnc3c15)<-[cH]24 0.000

#27 CCCCCCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]5cnc3c1c5)<-[cH]24 0.000

#28 CCCCCCCCCCC(=O)Nc1cc2c3ncc[cH]2->[Ru+2]2<-[cH]4cnc3c1[cH]->24 0.000

#29 CCCCCCCCCCC(=O)Nc1c2cccnc2c2ncccc2[cH]1->[Ru+2] 0.000

#30 CCCCCCCCCCC(=O)Nc1cc2c(ncc[cH]2->[Ru+2]2<-[cH]3c4nccnc4c4nccnc4[cH]->23)c2ncccc1... 0.000

#31 CCCCCCCCCCC(=O)Nc1cc2c(nc[cH]3->[Ru+2](<-[cH]4cc5nccnc5c5nccnc54)<-[cH]23)c2nccc... 0.000

Sequential multi-lig (v2) — 270 candidates

Pred: {"N": 12}