Name2Structure resolution

[cmgrulke]

As a researcher I want name2structure conversion to be done with names that do not match other names in our database during resolution So that the resultant structures can be used to do structural resolution

GET https://api.chemreg.epa.gov/search?identifer=$$$$$$$

OPSIN is a nice java package that will perform name to structure conversions. I currently use it in old ChemReg. https://opsin.ch.cam.ac.uk/. A RESTful API will be created in #303 that should be called to use this excellent package.

Acceptance Criteria: Names that do not have exact matches with other names/synonyms/etc from our database are converted to structures and search against the defined compounds (if conversion was successful).
An identified hit should have its score be penalized by -0.50 from a regular inchikey match.

Test:

[mwfrost]

The results of this particular search must be de-scored relative to other resolution methods, dev team will work with product owner to calibrate the specific de-scoring weight.

[jtumkur]

• Pull it in using Marvin
• Panelization based on InchiKey
• Name to Structure using - https://opsin.ch.cam.ac.uk/ and see if it same to InchiKey. Take a name and manipulate into a Inchikey which may exist in the database. This is accessible as a Java Package. Its a name in Resolver.
• Many names it may not be able to convert. For few it can be found.
• Converting systematic names to structures. Its part of Resolution
• Resolver is doing the matching.
• CIR through NIH interacts with data on their side similar to this functionality.

--- Build Opson Server ---Deploy RESTful API. Integrating the service into the resolver