getDrugStructure: Get drug chemical structure diagram data

In SubtypeDrug: Prioritization of Candidate Cancer Subtype Specific Drugs

Get drug chemical structure diagram data

Description

'getDrugStructure()' outputs the chemical structure graph data of the drug or compound based on the input drug label by the user. The results can be visualized by the 'plot' function.

Usage

getDrugStructure(drug.label = "", main = "", sub = "")

Arguments

drug.label	A character string of drug label to determine which drug to use for visualization.
main	An overall title for the chemical structure graph.
sub	A sub title for the chemical structure graph.

Details

getDrugStructure

Value

A sdfset object.

Author(s)

Xudong Han, Junwei Han, Chonghui Liu

Examples

require(rvest)
require(ChemmineR)
# Plot the chemical structure of drug pirenperone.
# Chem_str<-getDrugStructure(drug.label="pirenperone.")
# plot(Chem_str)

SubtypeDrug documentation built on May 29, 2024, 10:33 a.m.