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CTSgetPy Build Status

Python interface to the Chemical Translation Service (CTS), which is a Chemical Translation Service that performs batch conversions of the most common compound identifiers, including CAS, CHEBI, compound formulas, Human Metabolome Database HMDB, InChI, InChIKey, IUPAC name, KEGG, LipidMaps, PubChem CID+SID, SMILES and chemical synonym names.

Depends:

pip install requests
pip install tqdm
pip install bs4

Installation

pip install CTSgetPy

or

pip install git+https://github.com/hcji/CTSgetPy@master

Usage

Import package

from CTSgetPy import CTSgetPy

View possible translation options between > 200 databases.

CTSgetPy.CTS_options()

Example usage

# single target, single identifier
CTSgetPy.CTSget('KEGG', 'PubChem SID', 'C00001', top_only=True) 
CTSgetPy.CTSget('KEGG', 'PubChem SID', 'C00001', top_only=False) 
# multi targets, single identifier
CTSgetPy.CTSget('KEGG', ['PubChem CID', 'PubChem SID'], 'C00001')
# multi target, multi identifiers	
CTSgetPy.CTSget('KEGG', ['PubChem CID', 'PubChem SID'], ['C00001', 'C00002'])