UFA_PubChem_formula_extraction: UFA PubChem Formula Extraction

In IDSL.UFA: United Formula Annotation (UFA) for HRMS Data Processing

UFA PubChem Formula Extraction

Description

This module is to extract molecular formulas from a database.

Usage

UFA_PubChem_formula_extraction(path)

Arguments

path	path to store information

Value

Molecular formulas in https://pubchem.ncbi.nlm.nih.gov/ are stored in the provided 'path' in the .txt format.

References

Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE. PubChem in 2021: new data content and improved web interfaces. Nucleic Acids Res., 2021 Jan 8; 49(D1):D1388–D1395 , \Sexpr[results=rd]{tools:::Rd_expr_doi("10.1093/nar/gkaa971")}.

IDSL.UFA documentation built on May 31, 2023, 6:21 p.m.