GitLab

...new files and updated info

...to fix concentration values (truncated in CSV)

Updated CCL5, added S85 MICROCYSTINS and S86 TATTOOINK thanks to Hiba!

...with new datasets added earlier.

...HMMM TPs added...

...with new S74 version

... in SLE mapping files

Updated mapping files with info needed for S81 ...

...new pesticide TP permission information (NA = not applicable instead of FALSE for several entries)

... new mapping files as a result of transformation table updates. Plus updated the classification progress.

... added new CIDs from deposition.

Autocorrect error ;-(

CEC CCS values from UAntwerp

...upon request of Ksenia.

Thanks to Frank!

... updated files to contain all Std InChIKeys calculated via OpenBabel (and thus updated mappings), resolving CompTox bug with non-std IKs (as well as InChIs)

...with DOI of paper

... thanks to @parviel.chirsir and Ksenia Groh

...with DOI of published paper!

Updated classification / annotation status/tracking (done, wip, priority etc).

...thanks to Lilli from Eawag!

...two compounds no longer "P" and thus no longer PMT removed (see Zenodo record) upon request of Hans Peter.

Updated deposition files to link to S74.

Updated S0 SusDat to map to all IK, not just MS-Ready. Updated tool tip too.

Added DOI of publication to S61, now it's published ;-)

fix of minor synonym/structure issues in some lists reported by Jeff & Leon (PubChem); removed two mapping fields from S71 to reduce other deposition errors in synonyms. Added synonym tracking file to help keep track.

... updated Zenodo record (numbers), added DTXSID file.

...with new MetXBioDB deposit number

...as requested by Yannick