Randic_valence_index_calc: Moleculors Randic valence connectivity index calculator

In FedericoViv/Moleculors:

Description

This function takes the Vertex adjacency matrix, the full adjacency matrix, the raw input and the input with H suppressed and return the randic valence connectivity index calculated as the summatory of the product of the valence corrected degree of each atom. This element calculated as Valence electrons - number of hydrogen over total electrons of the atom - valence electrons - 1. In this way this element take into account the effect of heteroatoms and multiple bonds.

Usage

Randic_valence_index_calc()

Value

Randic valence connectivity index. Value is stored in Ouput_descp environment.

Examples

Randix_valence_index_calc()

FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.