smiles2Form: Convert SMILES code to atomic formula

Description Usage Arguments Value

Description

Convert SMILES code to atomic formula

Usage

1
smiles2Form(SMILES = NULL)

Arguments

SMILES

character vector of SMILES codes to convert

Value

a character vector the formula(e).


WMBEdmands/CompMS2miner documentation built on May 9, 2019, 10:02 p.m.