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Merge pull request #116 from ncats/NameChanges_Vignette
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Updated function names and parameter names.
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KeithKelleher authored Sep 27, 2024
2 parents 8ab04ba + 1f1c9eb commit f4fa973
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10 changes: 5 additions & 5 deletions Updated_RaMP_Vignette.Rmd
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This vignette will provide basic steps for interacting with [RaMP-DB](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5876005/) (Relational database of Metabolomic Pathways).

Details on RaMP-DB installation are also avaialble through GitHub (https://github.com/RAMP-project/RAMP).
Details on RaMP-DB installation are also avaialble through GitHub (https://github.com/ncats/RaMP-DB/).
Questions can be asked through the Issues tab or by sending an email to [NCATSRaMP\@nih.gov](mailto:[email protected]).

RaMP-DB supports queries and enrichment analyses.
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```{r}
analytes.of.interest <- c("chebi:15422", "hmdb:HMDB0000064",
"hmdb:HMDB0000148", "wikidata:Q426660")
new.ontologies <- getOntoFromMeta(analytes = analytes.of.interest, db=rampDB)
new.ontologies <- getOntoFromMeta(mets = analytes.of.interest, db=rampDB)
datatable(new.ontologies)
```

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### Retrieve Chemical Classes from Input Metabolites
RaMP incorporates Classyfire and lipidMAPS classes.
The function chemicalClassSurvey() function takes as input a vector of metabolites and outputs the classes associated with each metabolite input.
The function getChemClass() function takes as input a vector of metabolites and outputs the classes associated with each metabolite input.

```{r}
metabolites.of.interest = c("pubchem:64969", "chebi:16958", "chemspider:20549", "kegg:C05598", "chemspider:388809", "pubchem:53861142", "hmdb:HMDB0001138", "hmdb:HMDB0029412")
chemical.classes <- chemicalClassSurvey(mets = metabolites.of.interest, db=rampDB)
chemical.classes <- getChemClass(mets = metabolites.of.interest, db=rampDB)
metabolite.classes <- as.data.frame(chemical.classes$met_classes)
datatable(metabolite.classes)
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datatable(classy_fire_classes)
```

*Note*: To explicitly view the results of mapping input IDs to RaMP, users can run the chemicalClassSurvey() function as noted in above in the section "Retrieve Chemical Class from Input Metabolites".
*Note*: To explicitly view the results of mapping input IDs to RaMP, users can run the getChemClass() function as noted in above in the section "Retrieve Chemical Class from Input Metabolites".

## Connect to Different Versions of RaMP
Users are able to download previous versions of RaMP, and can input queries in these earlier versions. Some annotations have been added or changed since updated versions have been posted.
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108 changes: 53 additions & 55 deletions Updated_RaMP_Vignette.html

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