GitLab

added 5 new PFAS from community contributions (for deposition)

Updated with summary files from Dec 2021 release thanks to @anjana.elapavalore

new CIDs added

added 2:2 FT TPs plus a couple of extras

Added 4:2 FT TPs and harmonised FTUAL & FTUCA from "Unsaturated fluorotelomer" to "Fluorotelomer unsaturated"

...and tweaked (E)/(Z) notation and harmonised FTUAL & FTUCA from "Unsaturated fluorotelomer" to "Fluorotelomer unsaturated"

fixed E/Z names, added some other synonyms to tweak title entries, added the 6:2 FT TPs.

plus adjusted the names of the E/Zs to include brackets

Added ESI2, which meant lots of new substances ...

Fixing one erroneous SMILES, hopefully parser error is solved now...

S2: synonym update only.
S0: synonym update plus massive file update to latest version!

Added "Title" column as requested by Lean. Keep existing Title (from ID Exchange) if it's fine, add new Title entry if it should be changed. For current update, titles in rows 14, 15, 24, 25, 30-33 were updated, all others are the current title entries.

Updated CIDs

New deposition needed before annotation can be integrated! ;)

added two new substances from Martin et al DOI:10.1016/j.cbi.2005.06.007
Not yet in PubChem.

... plus two new substances.

More PFAS synonyms, from Martin et al DOI:10.1016/j.cbi.2005.06.007

... first part of the 8:2 (and other) TPs from Martin et al DOI: 10.1016/j.cbi.2005.06.007 thanks to Parviel with some modifications

from D'eon and Mabury, DOI: 10.1021/es070126x
More synonyms within.

From D'eon and Mabury paper, DOI: 10.1021/es070126x thanks to Parviel, with some minor modifications.

Added CHLORINETPS, UBABIOCIDES and PRORISKPFAS thanks to Hiba! Also updated classification/annotation tracking.

...new files and updated info

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

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

...with CompTox tooltips

Tooltips still to come

Tweaks in wording and descriptions

added URLs

First commit ... SLE and other lists done. README added.

Added a synonym file for Leon