Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Crossover of compounds with other S4 papers #34

Open
edwintse opened this issue Feb 6, 2021 · 1 comment
Open

Crossover of compounds with other S4 papers #34

edwintse opened this issue Feb 6, 2021 · 1 comment
Assignees

Comments

@edwintse
Copy link
Contributor

edwintse commented Feb 6, 2021

I've made a list of all the compounds that we currently have in the main body of the S4 paper, as well as all the compounds from the S4 offshoot papers to check for any crossover/duplication of compounds.

These offshoot papers include:

  • Bioisosteres (published here)
  • Tele-substitution (published here)
  • Predictive modelling (completed and under submission)
  • Crowdsourced chemistry (writeup in progress)

Here is a screenshot of the table (excel sheet attached below)

Screen Shot 2021-02-07 at 6 49 51 pm

The actual overlapping compounds are (green w/ bioisosteres; orange w/ modelling; blue w/ tele-sub; yellow w/ crowdsource; purple w/ bioisosteres & modelling):

Untitled Wiley Document-4

This spreadsheet may be useful when keeping track of all the numbering of the compounds at the end.

n.b. I also have a chemdraw with every structure from all the papers but it's a bit unwieldy to look at so am not uploading yet

Overlap compounds cdx.zip
OSM Paper Overlap.xlsx

@edwintse edwintse self-assigned this Feb 6, 2021
@mattodd
Copy link
Member

mattodd commented Feb 3, 2022

Hey @edwintse - the above is excellent. Does it need to be incorporated into Chase's final spreadsheet of compounds that we just received? i.e. to flag up the compounds in the paper that have been described elsewhere? Or keep as a separate SI item?

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants