getSmiles: Get the SMILES strings for a set of NSC identifiers.

View source: R/getSmiles.R

getSmilesR Documentation

Get the SMILES strings for a set of NSC identifiers.

Description

Get the SMILES strings for a set of NSC identifiers.

Usage

getSmiles(nscSet)

Arguments

nscSet

A character vector of NSC strings

Value

A named character vector indicating the SMILES string for each NSC in nscSet (or NA if no structural information is available).

Examples

nscSet <- c("609699", "94600")
getSmiles(nscSet)


cannin/rcellminer documentation built on Aug. 11, 2024, 8:45 a.m.