InChI Seminar 12 Aug 2023

FinalAgenda

9 am: Introduction
9:15: RInChI: 
	Harmonise the publication with the program: 
 	 https://iupac-inchi.github.io/InChI-Web-Demo/
	 http://dx.doi.org/10.1186/s13321-018-0277-8
	 https://doi.org/10.1515/pac-2021-2008
	 https://github.com/IUPAC-InChI/RInChI
9:45:   Variable InChI
	 Progress so far
	 https://github.com/Goodman-lab/InChiMarkush
	 Markush Centenary Year
10:15	break
10:45	OER: educational resources
	 https://www.inchi-trust.org/oer/
11:15	Stereochemistry
11:45:  QRInChI:
         IUPAC publication: https://www.degruyter.com/document/doi/10.1515/pac-2021-0604/html
         https://www-rinchi.ch.cam.ac.uk/qrinchi/
         https://github.com/Goodman-lab/InChiQRCodes
12:00	Organometallics
12:30	Other InChI things

12:45	Lunch Break

	Workshop on writing InChI documentation and publications:
14:00    (a) Training materials: A very short course on the InChI
             What is the best context? 
             What are the most convenient tools?
             What exercises should be set?
             How could InChI-based exam questions be set?
14:40	 (b) Papers under development
  	     (i) Think like an InChI (review)
	     (ii) How the InChI algorithm works (technical detail)
	     (iii) InChI / SMILES comparison (With Vin Scalfini and the SMILES+ group)
	     (iv) Organometallics (Sonja)

Remote access by zoom is available.
For the link: e-mail Jonathan Goodman ([email protected])