drugTargetBioactivity: drugTargetBioactivity

In girke-lab/drugTargetInteractions: Drug-Target Interactions

drugTargetBioactivity

Description

Function to query bioactivity data by target or compound ids

Usage

drugTargetBioactivity( queryBy=list(molType=NULL, idType=NULL, ids=NULL), cmpid_file=file.path(config$resultsPath,"cmp_ids.rds"),config=genConfig()) 

Arguments

queryBy	A list defining the query, as described in queryBy.
cmpid_file	Path to a compound ID mapping file, generated by cmpIdMapping.
config	General configuration. See genConfig.

Value

Returns results as a data frame.

Author(s)

Thomas Girke

See Also

queryBy cmpIdMapping

Examples

		 config = genConfig(chemblDbPath= 
										system.file("extdata", "chembl_sample.db", package="drugTargetInteractions"),
								  resultsPath = 
										system.file("extdata", "results", package="drugTargetInteractions"))

		 queryBy <- list(molType="protein", idType="uniprot", ids=c("P05979", "P35354", "P33033", "Q8VCT3", "P29475", "P51511"))
		 qresult <- drugTargetBioactivity( queryBy, config=config)

		 queryBy <- list(molType="cmp", idType="molregno", ids=c("101036", "101137", "1384464")) 
		 qresult <- drugTargetBioactivity( queryBy, config=config)

		 queryBy <- list(molType="cmp", idType="DrugBank_ID", ids=c("DB00945", "DB00316", "DB01050")) 
		 qresult <- drugTargetBioactivity(queryBy, config=config)

		 queryBy <- list(molType="cmp", idType="PubChem_ID", ids=c("2244", "3672", "1983")) 
		 qresult <- drugTargetBioactivity(queryBy, config=config)

girke-lab/drugTargetInteractions documentation built on Oct. 10, 2022, 10:35 p.m.