Paul Thiessen comments

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                                            Paul Thiessen

Two different chemical names appear in the file and point to different molecular entities

Yeah it's complicated... Some CAS in PubChem from from depositor-supplied synonyms as Emma mentioned above. And some come from totally separate 3rd party annotation streams, e.g. [https://pubchem.ncbi.nlm.nih.gov/compound/2244#section=CAS](https://pubchem.ncbi.nlm.nih.gov/compound/2244#section=CAS) We don't have...

Py-GC/MS data validation issues for PFAS polymers

FYI the "proper" PubChem page for this is [https://pubchem.ncbi.nlm.nih.gov/compound/Polytetrafluoroethylene](https://pubchem.ncbi.nlm.nih.gov/compound/Polytetrafluoroethylene) - yes PubChem SIDs are redundant, because we can get the same chemical from multiple different organizations. Normally these are combined...

Py-GC/MS data validation issues for PFAS polymers

@LadyBooo @schymane There are a couple of ways to do that. First, if you search for a term e.g. [https://pubchem.ncbi.nlm.nih.gov/#query=polytetrafluoroethylene](https://pubchem.ncbi.nlm.nih.gov/#query=polytetrafluoroethylene), hopefully the "best match" will be the right one. If...