[morraa]

1. We ensure that the compound is pure using analytical methods like NMR and LC/MS. In our Moonshot project, the assay cascade comprises biochemical assays against the main protease (2 different assay methodologies, run in Oxford and Weizmann Institute) and live virus assays, thus we should be able to infer whether the activity is caused by impurities killing the virus. In addition, we also perform high-throughput x-ray crystallography to determine the structures of all the protein-ligand complexes, which serves an an orthogonal assay.

2. Yes, our algorithm does factor in the yield when it decides which reaction to use.

3. You're absolutely right. It is very ambitious but we've realized that even if we don't get our compounds into human trials (currently aiming for in-vivo testing in next few weeks) that we will still have generated a lot of useful data that is there in the open for when the next pandemic comes around. This has been a real weakness from prior pandemic where research wasn't continued and certainly wasn't stored in clean accessible ways. As I'm sure you know SARS has super high genetic similarity to current COV-2 so having prior data accessible and cleaned would have given researchers a real head start.

4. Yes Derek is aware of COVID Moonshot and is also of the opinion that is it both ambitious but sadly necessary. We continue to follow his posts as healthy skepticism particularly in the area of AI for drug discovery is always helpful.

[JunkDNA]

It didn't come across in my post in retrospect, but just want to say clearly I love this idea and the ambitious nature of it. I think when someone works in drug discovery, it's hard to escape this feeling that there has to be a better, faster, cheaper way. But at the same time, the reality of seeing how little we actually understand about biological systems on display each and every day tends to be quite a downer! The world sorely needs more of this kind of thinking.