dmitrij176
commented
3 years ago Hello everyone. The red entries had been resolved with @fantasy121. But please bear in mind that since rows 33 and 34 are now separate entries, the codes for rows 35-168 will now be changed as well. I will update them accordingly.
MFernflower
Starting new thread on this. Refers back to #29, #10 etc
MycetOS Master List is here. It's already linked in "Sources of Data" on wiki and on Series 1 front page. Data licence is also mentioned on the front page as CC-BY-4.0.
Thanks to @dmitrij176 for assigning the codes in accordance with the numbering system that was devised previously. This is an important first step. We all need to adopt these codes in discussions, presentations and papers. Hopefully that's OK @Wilson-Lm @wwjvdsande @kym834?
Residual points:
1) Commercial samples, e.g. cetirizine. No problem in my view with assigning MYOS codes to such things.
2) There are some entries in red, and some entries with asterisks and dots - could these please be resolved, to remove any uncertainty?
3) Can @fantasy121 and @dmitrij176 please check for any duplicates - I see one potential duplicate for DM7-1 in rows 20 and 140, for example.
4) The column "aka" is note really needed, given that we already have a column for other codes.
5) I don't think the "year" screened column is needed, but we could use a column for "URL" where we can paste in any URLs where the molecules feature, if we wish. This is related to the idea that people may want to find pages where the molecule has been used/screened/discussed, and this can contain ELN references which would be very useful. The "URL" column can go at the extreme right of the sheet and a single cell can contain multiple URLs separated by commas.
6) The "by whom" needs clarification. Does this mean "synthesised by"? If we have the URL column (below) we don't need this column.
7) Could the "mol form" column please be completed?
8) Sheet 3 and the sheet on in vivo potency. It would be very useful to get rid of these by ensuring the data they contain are in the main sheet. If we have too many sub-sheets, we're going to get confused.
9) How to list batches? We discussed briefly in #10 and #4. Given that we're not using a sophisticated database, but instead a simple sheet, I would suggest batches can be added in as separate rows (where they are grouped together since they have the same primary code). The "URL" column can help maintain the link to where/why the molecules were made/tested again. If we adopt a better compound registration system, this issue will go away, but for now we need to capture it. So new batch --> new row. (incidentally, the issue arising in #4 - @fantasy121 can you please look at this again? I think the issue was that the structures were already in the Master List elsewhere, and the duplicates needed to be removed (in this case batch numbers would do that, right?).
10) The molecules on the Biological Evaluation page. Are they all in the Master List? We need absolute clarity on this.
11) While checking 10), those molecules on the Biological Evaluation page need their MYOS codes inserted into the diagrams. This will act as a double-check that we are not missing anything. @dmitrij176 can you please amend the chemdraws, post them to the shared "code" filestore and upload new versions of those figures to the wiki?
12) What do we do with MyOS codes for molecules that are not yet synthesised, but which have been proposed. I am always fine with including such things in the Master List if it is made clear that they are not yet made (e.g. a column entitled "Made?" where a "1" indicates yes and a "0" is no). This is a simple way to include suggestions, with the URL column allowing referral back to when the suggestion was made. Would that work for quick suggestions @MFernflower ?