Skip to main content

Table 2 Example of the calculation of the neighbourhood descriptor based on Fig. 5

From: MET: a Java package for fast molecule equivalence testing

  \(d_0\) \(d_1\) \(d_2\) \(d_3\)
A 5 8 27 39
B 3 19 14 65
C 7 3 19 14
D 7 3 19 14
E 5 8 25 41
F 3 17 14 59
G 10 3 17 14
H 2 3 17 14
  1. The values in \(d_0\) are self-chosen and do not follow a special semantic