GetEndo: Get the altered endogenous metabolites from the differential...
In polyPK: The Pharmacokinetics (PK) of Multi-Component Drugs Using a Metabolomics Approach

Description Usage Arguments Details Value Note Author(s) References See Also Examples

A function to get the altered endogenous metabolites by similarity analysis on the list of differential compounds and the list of pre-dose compounds.

1	GetEndo(pre,A,simidata,sim=80,filepath,design)

`pre`	The pre-dose dataset (data frame).
`A`	The differential compounds which is derived from the GetDiffData function.
`simidata`	The same compounds of drug and pre-dose metabolome data, which is derived from Simi.
`sim`	The parameter (percentage) for similarity analysis. Default: 80.
`filepath`	A character string indicating the path where the results may be saved in.
`design`	(optional) a study design dataset(data frame with required format).Use data(design) to see the detailed format. Default:"FALSE"

nothing

A data frame which is the list and data of altered endogenous metabolites.

A folder named "EndogenousMetabolites" containing a file named "EndogenousMetabolites.xlsx" will be created automatically which is the list and data of altered endogenous metabolites. And the foreground color of the same compounds produced by Simi will be marked with light blue. If the study design is given by right format, the meal times and sleep times will be marked as yellow and grey.

nothing

Mengci Li, Shouli Wang, Guoxiang Xie, Tianlu Chen and Wei Jia

1. Ke Lan, Wei Jia, et al. An Integrated Metabolomics and Pharmacokinetics Strategy for Multi-Component Drug Evaluation. (2010) Current Drug Metabolism.

2. Guoxiang Xie, Wei Jia, et al. Metabolic Fate of Tea Polyphenols in Humans. (2012) Journal of Proteome Research.

3. Ke Lan, Wei Jia, et al. Towards Polypharmacokinetics:Pharmacokinetics of Multicomponent Drug and Herbal Medicines Using a Metabolomics Approach. (2013) Evidence-Based Complementary and Alternative Medicine.

4. Wei Jia, Tai-ping Fan,et al. The polypharmacokinetics of herbal medicines. (2015) Science.

5. Guoxiang Xie, Wei Jia, et al. Poly-pharmacokinetic study of a multicomponent herbal medicine in healthy Chinese volunteers. (2017) Clinical Pharmacology&Therapeutics.

GetDiffData GetAbso GetSecdAbso Simi

##---- Should be DIRECTLY executable !! ----
data("preData")
 data("A")
 data("simidata")
data("design")
 GetEndo(preData,A,simidata,sim=80,filepath=getwd(),design=FALSE)
##----the result is saved at your current working directory of the R process
##----which is the input (B) of function GetSecdAbso