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"))
#> CID MolecularWeight CanonicalSMILES
#> <int> <char> <char>
#> 1: 123 144.18 C(CC(=O)N)CN=C(N)N
#> 2: 456 132.08 C(=O)(C(=O)O)NC(=O)N