This conference / workshop builds on recent events to expand and prioritise future developments for the IUPAC InChI standard for chemical structure representation.

The event will include a mix of themed talks and working breakout sessions, finishing with summaries and actions.

Working groups will cover InChI extensions for organometallics, tautomerism, reactions, mixtures and large molecules amongst others. Applications and challenges for InChI implementation in QR codes and cross database resolvers will also be covered, as well as the challenges in chemical structure standardization and for open molecular file formats.

See the InChI Trust or IUPAC InChI site for background on the InChI

Please indicate in the event sign-up if you would like to be a speaker - short talks around use cases especially welcome.

The event will be held in the Natcher Conference Centre (Building 45). Here are some links to useful information about the NIH campus and security (think airport security). We are on the Metro red-line. There are hotels local to NIH (some are on the NIH shuttle route).

Draft Program

DAY 1 Wednesday August 16, 2017

8:30 am - Opening Remarks -

Steve Heller – InChI Project Trust Director
David Evans - InChI Trust
Richard Hartshorn - IUPAC

8:45 am - 9:00 am - Patti Brennan - Director, NLM

9:00 – 9:30am
Digital Chemical Representations - Roger Sayle, NextMove
InChI as Identifier – Steve Stein, NIST

Use Cases for InChI

9:30 am - 10:30 am
Scientific and practical solutions for research - academic, or industry

11:00 am - 12:30 pm
Projects/aggregation, applications/software - government, vendors, software

1:30 pm - 2:30 pm
Data publishing - publishers and databases

3:00 pm - 5:00 pm
InChI & Working Groups reports

DAY 2 Thursday August 17, 2017

8:30 am - 10:00 am
Breakout Groups – 3 tracks

10:30 am - Noon
Breakout Groups – 3 tracks

1:00 pm - 1:45 pm
Open discussion on community wide issues

1:45 pm - 2:30 pm
InChI version 2.0 discussion

3:00 - 4:30 pm
Breakout Groups – 3 tracks

4:30 - 5:30 pm
Early report back from break-outs

DAY 3 Friday, August 18, 2017

8:30 – 9:00 am
Open discussion on future directions for digital chemical representation

9:00 am – 10:30 am
Break-out groups - topics du jour

11:10 am - 11:30 am
Report back from break-outs

11:30 am – 12:30 pm
Next steps

1:30 pm - Meeting ends

2:00 - 5:00 Project Group meetings
MInChI Project Group