InChI: open-source chemical structure representation algorithm

IUPAC/InChI mini-workshop

There will be an IUPAC/InChI mini-workshop at the upcoming Boston ACS meeting. It will be held on the Friday Aug 17 and Saturday Aug 18 prior to the ACS meeting in the Westin Waterfront next to the convention center. There are several break-out sessions planned on current topics relevant to InChI and IUPAC data standards, and some meetings of the InChI Trust. We envision this to be a working meeting focused on advancing various projects and proposals at various stages of completion.

Topics and discussion leads expected:
[1] Large molecules (Evan Bolton)
[2] Organometallics (Ian Bruno)
[3] Mixtures (Leah McEwen, Gerd Blanke, Alex Clark)
[4] Education portal (Bob Belford, Vin Scalfani)
[5] IUPAC file formats – SMILES, CTAB (Evan Bolton, Vin Scalfani)
[6] Variability in InChI general discussion (Leah McEwen, Evan Bolton)
[7] Open discussion on other topics of community interest

Working agenda for the meeting is here.

 

For further details please contact Evan Bolton or Leah McEwen