@afewbugs I certainly agree on the end goal :) But yeah, I *would* also like to see that 'metaphorical' reduction from 4 to 2.

Regarding the analysis - it seems that the objective is to provide a toolkit for figuring out manufacturing procedures for a wide variety of drugs, but with the expectation that any one single user of said toolkit would only be manufacturing one or a few types of drugs (and so would repeatedly carry out the same process).

In that context, would it not be viable to extend the toolkit so that it can also determine drug-specific validation mechanisms with simple/affordable tests? As opposed to a universal(-ish) tool like a mass spectrometer. Or is that not something that can be automated/assisted to the same degree as the original biosynthesis calculations?