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How to find out/download algorithm/code from js link?
I need to translate the name of a chemical formula from SMILES into a regular molecular formula.
For example,
CC(=O)OC1=CC=CC=C1C(=O)O is the name in SMILES
C9H8O4 is the usual molecular formula
I was told that this can be done online here :
pubchem.ncbi.nlm.nih.gov /rest/ pug/compound/ smiles/ CC(=O)OC1=CC=CC=C1C(=O)O /property/MolecularFormula/JSON
Just replace CC(=O)OC1=CC=CC=C1C(=O)O with another formula in the SMILES format, and then you get an answer with a molecular formula:
So, as I understand it, this is done according to some kind of algorithm. How can I find out/download this algorithm/code from there?
herethere are some obscure details, but they do not help
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Bad Google means.
Converter
OELib
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Wrap the converter in a REST interface, and you can use it from anywhere
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In principle, you can tear out the converter code and assemble it into your program, but it takes longer, and potential problems with the license
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