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Randic molecular profiles

Molecular descriptors derived from the distance distribution moments of the geometry matrix, defined as the average row sum of its entries raised at the k-th power, normalized by the factor k!


RelNo

Symbol

Name

References

1DP01molecular profile no. 01

Randic,M. New J. Chem.,
(1995), 19,781-791.

Randic,M. J.
Chem. Inf. Comp. Sci.,
(1995), 35, 372-382.

2DP02molecular profile no. 02
3DP03molecular profile no. 03
4DP04molecular profile no. 04
5DP05molecular profile no. 05
6DP06molecular profile no. 06
7DP07molecular profile no. 07
8DP08molecular profile no. 08
9DP09molecular profile no. 09
10DP10molecular profile no. 10
11DP11molecular profile no. 11
12DP12molecular profile no. 12
13DP13molecular profile no. 13
14DP14molecular profile no. 14
15DP15molecular profile no. 15
16DP16molecular profile no. 16
17DP17molecular profile no. 17
18DP18molecular profile no. 18
19DP19molecular profile no. 19
20DP20molecular profile no. 20
21SP01shape profile no. 01
22SP02shape profile no. 02
23SP03shape profile no. 03
24SP04shape profile no. 04
25SP05shape profile no. 05
26SP06shape profile no. 06
27SP07shape profile no. 07
28SP08shape profile no. 08
29SP09shape profile no. 09
30SP10shape profile no. 10
31SP11shape profile no. 11
32SP12shape profile no. 12
33SP13shape profile no. 13
34SP14shape profile no. 14
35SP15shape profile no. 15
36SP16shape profile no. 16
37SP17shape profile no. 17
38SP18shape profile no. 18
39SP19shape profile no. 19
40SP20shape profile no. 20
41SHP2average shape profile index of order 2
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