property_extractor: Property extractor

Description Usage Arguments Value Examples

View source: R/property_extractor.R

Description

Extracts molecular properties for a compound of interest based on its PubChem CID using the PubChem REST API.

Usage

1
property_extractor(pubchem_cid)

Arguments

pubchem_cid

A PubChem CID

Value

A tibble with CID, molecular formula, molecular weight, canonical SMILES, and InChIKey.

Examples

1

diogocamacho/drugminer documentation built on July 20, 2019, 1:48 p.m.