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in build_nb, add the necessary instructions and infrastructure to capture the ChemInformatics info for as many chemicals as possible. This should include Hazards (.xlsx and .sdf) and the safety data (.xlsx)
At the minimum, put the presence/absence of the CI analysis into the bgCAS table so that downstream functions can access it.
A more thorough treatment would be to create a third table, indexed by bgCAS but with all the info scraped from CI
The text was updated successfully, but these errors were encountered:
Added field chemInfo_available into the data set that indicates if a bgCAS has ChemIformatics data available. A table with all the scores and authorities for those bgCAS is now in the repo's curation_files directory. In addition, the ChemInfo_ref_files dir in the final repo has the three results files from the CI request performed during the build. Those files are
Hazard xlsx version - has the colored table as well as much of the data that was used to score the chemical
Hazard sdf version - a text file that is used to create the simple score/authority table for the 20 characteristics
Safety xlsx version - has a lot of summary information for each chemical and links to specific safety documentation.
The text was updated successfully, but these errors were encountered: