Table 6 Screened compounds obtained from the matching of trees/sub-trees obtained from the
generated structure from the root vertex (indicated) of Isoniazid molecular graph
Source Compound
Isoniazid
Compounds (in the Global TB data set) whose structures topologically matched with the
source compound with the node deviation and node migration mentioned alongside
S. no.
Node deviation
Node migration
Matched compound
1
0
0
Compound No 1387
2
0
0
Compound No. 3296
3
1
0
Compound No. 180
4
1
0
Compound No. 1174
5
1
1
Compound No. 180
6
1
1
Compound No. 1192
(continued)
100
Md.I. H. Rizvi et al.