Finding Wave 2 Orders

Hi everyone,

I am having a hard time finding the Wave 2 compounds ordered for synthesis by Enamine – similar to how Wave 1 has its own page.

I want to ask if anyone can redirect me to the page?

Thank you!

Hi! So if you take a look at https://postera.ai/covid/submissions/compounds you can add the filter for ‘ordered’ to see what has been sent for synthesis. Note this includes all ordered compounds to date, not just Wave 1, and includes compounds sent to all CROs not just Enamine.

A dynamic list of full orders broken down by date and vendor can be seen on the public GitHub repository: https://github.com/postera-ai/COVID_moonshot_submissions/tree/master/orders_data

Hope this helps.

Hi Aaron,

It does help! Though I am curious to know if there is a similar page for Wave 2 such as Wave 1 – please see the link below!

https://test.covid.postera.ai/covid/orders

Thank you!

Hi @jeromane, sorry we don’t have a page like that anymore (that is on our testing subdomain actually). It turned out to be too confusing to delineate what was a “wave 1” vs “wave 2” compound on our end.

But the best indicator of “wave 2” like compounds is to got to the compound tracker and select “ordered” but not “made” with the selection buttons.

@mc-robinson Understood, thank you for letting me know!

I will go check those out!

Hi @aaron.morris ,
I’ve had similar issues / questions-
Submissions tracking page is helful, but it’s not possible to export the results of the filter process i.e. regardless of what is listed in the page table after applying filters, the export csv always exports the full list and this exported list does not have a column for e.g. IC50 and more importanty tracking status.

I’m trying to analyse the full data set via some of my usual offline tools, so I need either a smiles containing csv or sdf, but I cant’ find a way to tag which compounds have been ordered / made, without doing it manually by hand from the online table (which would take hours).
Is there some way for the csv export on the tracking page to export just what is in the table after filtering? And is it possible for the csv export to include e.g. IC50 data where it exists, and also a status column (e.g. Ordered, Made, Assays, none)?

Best regards,
Ben

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Hi @Ben_DNDi, this is actively being worked on! For now, the activity data download “export csv” button does work at https://postera.ai/covid/activity_data

As for the ordered/assayed, info we are working on incorporating that all for export. Right now, it is only found in this file with info I am trying to get pushed to the site soon https://drive.google.com/file/d/1A8uBHNGzDVau6_QddoOSOOVHExveFOt3/view?usp=sharing

Great, thanks @mc-robinson

Hi again @mc-robinson,
In this file, I’m having trouble identifiying the column with info on which componuds are ordered / assayed and which are not - could you point me in the right direction :-)?

That’s because I uploaded the wrong file… :weary: Should be the last 3 columns here! https://drive.google.com/file/d/1A8uBHNGzDVau6_QddoOSOOVHExveFOt3/view?usp=sharing

Though we are making a lot of orders today, so I will hopefully have an updated version for you soon.