9 am to 5 pm, San Francisco Local Time
9 am: Introduction
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
9:15: RInChI
9:45:
10:15 10:45
:
Variable InChI
Progress so far https://github.com/Goodman-lab/InChiMarkush Markush Centenary Year
break
OER: educational resources
11:15 Stereochemistry 11:45: QRInChI:
IUPAC publication: https://www.degruyter.com/document/doi/10.1515/pac- 2021-0604/html
12:00 12:30
12:45 14:00
14:40
https://www-rinchi.ch.cam.ac.uk/qrinchi/
https://github.com/Goodman-lab/InChiQRCodes
Organometallics Other InChI things
Lunch Break
Workshop on writing InChI documentation and publications: (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?
(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 SMILES+) (iv) Organometallics (Sonja)
Remote access by zoom is available.
https://zoom.us/j/92477818741?pwd=Z25hOFM0SXVXM2xjbVlBTlJwSnlHZz09
Meeting ID: 924 7781 8741 Passcode: 414641
9 am:
9:15:
9:45:
10:15 10:45
Introduction 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
Variable InChI
Progress so far https://github.com/Goodman-lab/InChiMarkush Markush Centenary Year
break
OER: educational resources
11:15 Stereochemistry 11:45: QRInChI:
IUPAC publication: https://www.degruyter.com/document/doi/10.1515/pac- 2021-0604/html
12:00 12:30
12:45 14:00
14:40
https://www-rinchi.ch.cam.ac.uk/qrinchi/
https://github.com/Goodman-lab/InChiQRCodes
Organometallics Other InChI things
Lunch Break
Workshop on writing InChI documentation and publications: (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?
(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 SMILES+) (iv) Organometallics (Sonja)
Remote access by zoom is available.
https://zoom.us/j/92477818741?pwd=Z25hOFM0SXVXM2xjbVlBTlJwSnlHZz09
Meeting ID: 924 7781 8741 Passcode: 414641
9 am: 9:15:
9:45:
10:15 10:45
Introduction 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
Variable InChI
Progress so far https://github.com/Goodman-lab/InChiMarkush Markush Centenary Year
break
OER: educational resources
11:15 Stereochemistry 11:45: QRInChI:
IUPAC publication: https://www.degruyter.com/document/doi/10.1515/pac- 2021-0604/html
12:00 12:30
12:45 14:00
14:40
https://www-rinchi.ch.cam.ac.uk/qrinchi/
https://github.com/Goodman-lab/InChiQRCodes
Organometallics Other InChI things
Lunch Break
Workshop on writing InChI documentation and publications: (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?
(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 SMILES+) (iv) Organometallics (Sonja)
Remote access by zoom is available.
https://zoom.us/j/92477818741?pwd=Z25hOFM0SXVXM2xjbVlBTlJwSnlHZz09
Meeting ID: 924 7781 8741 Passcode: 414641