Skip to main content
. 2014 Jul 24;9(7):e100386. doi: 10.1371/journal.pone.0100386

Table 2. Prediction results achieved by consensus model for 10 novel compounds.

Compound Organic ligands IC50 Predicted Name of the ligand
1 C10N2 0.5 Bipyridine
2 C5H7O2 0.53 Acetyl acetone
3 C6H12O2N3 0.75 Tert-butyl[amino(imino)methyl]carbamate
4 C10H11NO3 0.87 2-(N-salicylidene)aminopropionate
5 C4H6O6 0.93 Tartaric acid
VOSO4 as reference compound inorganicvanadium salt IC50 = 1.00±0.09 none 1.00 none
6 C8H4Cl2N2OS 1.12 1,3,4-oxadiazole-2-thiol, 5-(2,4-dichlorophenyl)-
7 C8H5ClN2OS 1.13 1,3,4-oxadiazole-2-thiol, 5-(4-chlorophenyl)-
8 C8H6N2O2S 1.16 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-
9 C8H5BrN2OS 1.16 5-(3-bromophenyl)-1,3,4-oxadiazole-2-thiol
10 C8H6N2OS 1.21 1,3,4-oxadiazole-2-thiol, 5-phenyl-