mapCID2Properties: Map PubChem Compound IDs to Properties

In bhklab/AnnotationGx: AnnotationGx: A package for building, updating and querying an annotation database for pharmaco-genomic data

Map PubChem Compound IDs to Properties

Description

This function maps PubChem Compound IDs to specified properties using the PubChem REST API. See getPubchemProperties for a list of available properties.

Usage

mapCID2Properties(ids, properties, ...)

Arguments

ids	A vector of PubChem Compound IDs.
properties	A vector of property names to retrieve for each compound.
...	Additional arguments to be passed to the getPubchemCompound function.

Value

A data frame containing the mapped properties for each compound.

Examples

mapCID2Properties(ids = c(123, 456), properties = c("MolecularWeight", "CanonicalSMILES"))

bhklab/AnnotationGx documentation built on April 3, 2025, 4:27 p.m.