...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

...and updated related files for deposition, also adding DOI for S72

...for Jeff to start deposition...

... hopefully fixing charge issues in S61 and making minor text changes as requested by Adela in S72

NOTE: the majority of the dataset is mapped up by QSAR-ready SMILES generated from compiled source SMILES. I've added the QSAR-ready information as row 79 without synonyms (not available) and the name/CAS/source_SMILES associations in row 80.

...and updated the mapping and classification files for Jeff.