Last edit was a week ago but there are issues that could be addressed
1) Is it now name, synonym, and structure complete for the paper?
2) The averaging functions in column Y are not working
3) Killing rate cells highlighted but empty
4) Missing structures for OSM-S-707, 708, 709
5) Remove OSM-S-117 (DUPLICATE OF OSM-S-64) ?
6) OSM-S-380 missing InChIKey
7) If @MedChemProf is going to switch from MMV to just a number series in the paper better make a start on keying in this now (issue also just raised by @danaklug)
8) Not sure if those 3 MMV nos I resolved are in this sheet (keep the MMV nos since they will be internal)
9) Also resolve OSM-S-313 and 218
10) Could @drc007 check the round-tripping consistency of SMILES <> InChI and the one-way SMILES > InChIKey ?
Updates, post 15 Feb Zoom
1) OSM numbers will be primary IDs in paper
2) Average assay values make no sense where values from differnt assays are spread too widely (some up to 5-fold) suggest legitimate compromise is just to take the lowest of the set, but keep the set as archived data
2) Try to find out when ChEMBL28 data-stop might be if we could make a bulk submission based on the master sheet towards the finish of the paper.
3) Failing this deadline I can talk to PubChem to see what kind of data sheet could be OK for a bulk BioAssay upload
Probably a good time to consolidate the master sheet as the core data substrate for the paper.
https://docs.google.com/spreadsheets/d/1Rvy6OiM291d1GN_cyT6eSw_C3lSuJ1jaR7AJa8hgGsc/edit#gid=510297618
Last edit was a week ago but there are issues that could be addressed
1) Is it now name, synonym, and structure complete for the paper? 2) The averaging functions in column Y are not working 3) Killing rate cells highlighted but empty 4) Missing structures for OSM-S-707, 708, 709
5) Remove OSM-S-117 (DUPLICATE OF OSM-S-64) ? 6) OSM-S-380 missing InChIKey 7) If @MedChemProf is going to switch from MMV to just a number series in the paper better make a start on keying in this now (issue also just raised by @danaklug) 8) Not sure if those 3 MMV nos I resolved are in this sheet (keep the MMV nos since they will be internal) 9) Also resolve OSM-S-313 and 218 10) Could @drc007 check the round-tripping consistency of SMILES <> InChI and the one-way SMILES > InChIKey ?
Updates, post 15 Feb Zoom
1) OSM numbers will be primary IDs in paper 2) Average assay values make no sense where values from differnt assays are spread too widely (some up to 5-fold) suggest legitimate compromise is just to take the lowest of the set, but keep the set as archived data 2) Try to find out when ChEMBL28 data-stop might be if we could make a bulk submission based on the master sheet towards the finish of the paper. 3) Failing this deadline I can talk to PubChem to see what kind of data sheet could be OK for a bulk BioAssay upload
Cheers