quanted / cts_app

cts repo
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Add qualitative rate info for schemes #216

Closed popenc closed 1 year ago

popenc commented 1 year ago

We’d like to add a qualitative description of the reaction rate for schemes without a HYDROWIN-estimated half-life. This description should go below the reaction arrows in the stepwise pathway diagram at the bottom of the output page for the Generate Transformation Products workflow (in the same place you show the HYDROWIN-estimated half-life). The rate description (“fast”, “slow”, etc) would simply come from a lookup table keyed off the name of the reaction scheme.

Attached is a spreadsheet with the ranks and reaction rate descriptions for all of the schemes in the in-house developed reaction libraries. The first tab has all of the schemes in the abiotic hydrolysis, abiotic reduction, direct photolysis, and spontaneous reaction libraries. There is no duplication in the scheme names in these libraries, so we can combine all of the schemes in a single lookup table.

The other two tabs are for the PFAS environmental and metabolism libraries. There are some scheme names that are used in both of these libraries, and they don’t always have the same rank, so we’ll need to have separate lookup tables for these two libraries.

CTSlibraries_SchemeRanks_120122.xlsx

popenc commented 1 year ago

This is now on ceam dev. I had to open a new browser to have the changes show up.

popenc commented 1 year ago

Updated to production 12/28/2022.