Implement new publicly-available CCTE API

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API documentation on https://api-ccte.epa.gov/docs/ and e1f88e5b-75d8-4e7b-a771-8c43d1af0772 apikey for application.

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API key: e1f88e5b-75d8-4e7b-a771-8c43d1af0772

Documentation: https://api-ccte.epa.gov/docs/

Endpoints:

https://api-ccte.epa.gov/chemical/search/equal/{word}

• used to search by chemical name to return the DTXSID. It also returns the casrn, preferredName, and smiles, but we can get those items in the next step too.

https://api-ccte.epa.gov/chemical/detail/search/by-dtxsid/{dtxsid}

• used to get the casrn, preferredName, molFormula, monoisotopicMass, iupacName, smiles, and averageMass

https://api-ccte.epa.gov/chemical/property/search/by-dtxsid/{dtxsid} with type = experimental

• provides many of the measured values in the PhysPropNCCT database, which is CCTE’s curated version of the EPI Suite PHYSPROP database. It also provides values from other databases, so we could have more than one measured value for a property. Interestingly, one of the databases provides measured values for pKa. The Koc and bioconcentration factor from PHYSPROP are separately available from the fateByDtxsid service. The only thing I haven’t found (yet) is the Henry’s Law Constant. So we probably won’t have to run EPI Suite separately to get the measured values anymore!

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Implemented public CCTE endpoints for chemical information workflow. Now on ceam dev for testing.