3. Walk and path counts
Definition
Relevant Descriptors
Molecular descriptors obtained from the molecular graph, counting paths, walks and self-returning walks of different lengths.
No | Descriptor |
1 | molecular walk count k1 |
2 | molecular walk count k2 |
3 | molecular walk count k3 |
4 | molecular walk count k4 |
5 | molecular walk count k5 |
6 | molecular walk count k6 |
7 | molecular walk count k7 |
8 | molecular walk count k8 |
9 | molecular walk count k9 |
10 | molecular walk count k10 |
11 | total walk count |
12 | self-returning walk count k1 |
13 | self-returning walk count k2 |
14 | self-returning walk count k3 |
15 | self-returning walk count k4 |
16 | self-returning walk count k5 |
17 | self-returning walk count k6 |
18 | self-returning walk count k7 |
19 | self-returning walk count k8 |
20 | self-returning walk count k9 |
21 | self-returning walk count k10 |
22 | molecular path count m1 |
23 | molecular path count m2 |
24 | molecular path count m3 |
25 | molecular path count m4 |
26 | molecular path count m5 |
27 | molecular path count m6 |
28 | molecular path count m7 |
29 | molecular path count m8 |
30 | molecular path count m9 |
31 | molecular path count m10 |
32 | molecular multiple path count m1 |
33 | molecular multiple path count m2 |
34 | molecular multiple path count m3 |
35 | molecular multiple path count m4 |
36 | molecular multiple path count m5 |
37 | molecular multiple path count m6 |
38 | molecular multiple path count m7 |
39 | molecular multiple path count m8 |
40 | molecular multiple path count m9 |
41 | molecular multiple path count m10 |
42 | total path count |
43 | conventional bond-order ID number |
44 | ratio of multiple path count over path count |
45 | difference between multiple path count and path count |
46 | Randic Connectivity ID number |
47 | Balaban ID number |