8/26/2020
This is a data scraper to basically pull chemical data for lab reports. This is forked from the amazing pubchem & explained with the inchiTRUST tutorial, so all credit to them.
https://www.inchi-trust.org/inchi-post/chemistry-programming-with-python-retrieving-inchi-from-pubchem-tutorial/ https://pubchemdocs.ncbi.nlm.nih.gov/pug-rest
Right now it can do the following, due to the limitations of the PubChem API:
-InChi
-InChiKey
-Moleulcar Formula
-Smiles
-Molecular Weight
-IUPAC Name
-Charge
-Mass for Mass spectrometry
Likewise, if you're a student with no idea about how to run this, send me an email: info@kruer.io I am always happy to help
Feeling generous? buy me a coffee or maybe an MCAT textbook : )
BTC: 3KGDtqESSNDrGPYWnn5SB7n9bdELJPVjKy