https://github.com/a-r-j/drugtranslator
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
Science Score: 13.0%
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Low similarity (5.7%) to scientific vocabulary
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Repository
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
Basic Info
- Host: GitHub
- Owner: a-r-j
- License: mit
- Language: R
- Default Branch: master
- Size: 6.84 KB
Statistics
- Stars: 3
- Watchers: 1
- Forks: 2
- Open Issues: 0
- Releases: 0
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Metadata Files
README.md
# DrugTranslatoR R package for translating between drug identifiers using the Chemical Translation Service (CTS)
Details
Simple R wrapper to send HTTP requests to the CTS server.
Installation
```
install devtools if required
if (!requireNamespace("devtools")) install.packages("devtools")
then install DrugTranslatoR
devtools::install_github("a-r-j/DrugTranslatoR") ```
Usage
translateDrugID(from, to, query) - Translate between different drug/chemical identifiers
sourceIDs() - Fetch list of valid identifies that can be translated from
targetIDs() - Fetch list of valid identifiers that can be translated to
expandChemicalFormula(formula) - Expands a compact chemical formula
InChIKey2MolDef(inchikey) - Converts InChIKey to molecule definition (MDL/SDF)
countBiologicalIDs(inchikey) - Counts biological IDs for InChIKey
scoredInChiKeys(from, query, algorithm) - Gets a list of scored InChIKeys
Reference:
The Chemical Translation Service—a web-based tool to improve standardization of metabolomic reports. Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon Willighagen, Tobias Kind, Oliver Fiehn. Bioinformatics, Volume 26, Issue 20, 15 October 2010, Pages 2647–2648, https://doi.org/10.1093/bioinformatics/btq476
Owner
- Name: Arian Jamasb
- Login: a-r-j
- Kind: user
- Location: Basel
- Company: University of Cambridge
- Website: jamasb.io
- Twitter: arian_jamasb
- Repositories: 32
- Profile: https://github.com/a-r-j
Principal ML Scientist @PrescientDesign / Tensor Jockey / PhD @ University of Cambridge Prev: MILA, Google X, Relation Therapeutic
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