1. Chemistry, University of Southampton, UK
i-UPAC
Jeremy Frey
Chemistry, University of Southampton, UK
@profehem
16/11/2018
Jeremy G. Frey

2. PURE
16/11/2018
Jeremy G. Frey
cc: larces -

3. APPLIED 16/11/2018 Jeremy G. Frey
cc: Gerard Stolk (vers le Carême) -

4. DEFINITIONS 16/11/2018 Jeremy G. Frey
cc: fabianmohr -

5. RELATIONSHIPS 16/11/2018 Jeremy G. Frey
cc: tuchodi -

6. HUMAN
16/11/2018
Jeremy G. Frey
cc: Macroscopic Solutions -

7. MACHINE 16/11/2018 Jeremy G. Frey
cc: Pierre J. -

8. INTELEGENT 16/11/2018 Jeremy G. Frey
cc: --Filippo-- -

9. ACCESS
16/11/2018
Jeremy G. Frey
cc: JenWaller -

10. Chemical Information
Chemical information includes the data, quantities, concepts, relationships, standards, terminology and definitions key to understanding chemistry (in context).
The digital future for structural representation is provided for - InChI – but what of other chemical information?
Bioinformatics has been widely supported by governmental funds; cheminformatics far less so
Royal Society report on Science as an Open Enterprise – “intelligent access” is key in a digital world
The Challenge - Enabling computers to understand chemical terminology and relationships unambiguously
16/11/2018
Jeremy G. Frey

11. DIGITAL 16/11/2018 Jeremy G. Frey
cc: quimby -

12. DATA DRIVEN 16/11/2018 Jeremy G. Frey
cc: FutUndBeidl -

13. How do we communicate process?
If you can't describe what you are doing as a process, you don't know what you're doing.
W. Edwards Deming
Surprisingly difficult to explain what a process involves
Much of the detail is assumed to be understood and not explicitly discussed
This is where the miss- understandings usually arise.
16/11/2018
Jeremy G. Frey

14. Ontology 16/11/2018 Jeremy G. Frey
cc: Rich Anderson -

15. Others will do this first
It’s a Data Driven world
The world is moving on from the human readable science
Link up much more ICSU – WDS
Manufacturing, research, teaching and learning all now computer assisted e.g. databases, data–mining, electronic laboratory notebooks
IUPAC should set the digital standards for chemistry (even if it can't actually support the systems directly)
If we don't do this soon then the other science areas that use chemistry will do this for us and not necessarily correctly
Not a good idea!
16/11/2018
Jeremy G. Frey

16. FORWARD 16/11/2018 Jeremy G. Frey
cc: `James Wheeler -

17. Opportunity for IUPAC to take the lead in creating a consistent global framework for Human AND Machine-readable (and “understandable”) chemical information – the identifier is the key asset
Priority
16/11/2018
Jeremy G. Frey
cc: Robert S. Donovan -

18. For IUPAC to re-engage with its roots in industry given the importance of open “intelligent access” for innovation
COMMUNITY
16/11/2018
Jeremy G. Frey
cc: quinn.anya -

19. Culture 16/11/2018 Jeremy G. Frey
cc: jovike -

20. strategy Standards are IUPAC a core competence
To raise IUPAC profile and brand in a very significant way
Collaboration with ICSU, WDS, RDA, other chemical societies, and UN bodies such as FAO and environmental agencies
16/11/2018
Jeremy G. Frey
cc: horrigans -

21. We must speed up the knowledge discovery process
All I am saying is that now is the time to develop the technology to deflect an asteroid
16/11/2018
Jeremy G. Frey