Email Gateway (Feb 12 2024 at 11:56): Email Gateway (Feb 12 2024 at 11:56):From: Yiming Xu <cl-isabelle-users@lists.cam.ac.uk>
Hi, all.
I was always imagining formally doing deduction when doing organic synthesis exercise in chemistry many years ago. Recently, I discovered a book called "Logic of chemical synthesis"
I suppose it would be fun to design a deduction system for organic synthesis and have the provability of chemical formulas. Is there any existing work on such a topic? If not, does it sound possible to start one? Or are there any barriers which are already obvious?
Thanks for any discussion!
Best regards.
Yiming Xu
Email Gateway (Feb 13 2024 at 08:20):From: Alex Shkotin <alex.shkotin@gmail.com>
Hi Yiming!
Great book. The topic for this book may be theoretical chemistry
formalization. And not only theory of molecular structure but also theory
of algorithms of these structures manipulation.
It would be great if you join our ontolog-forum
<https://groups.google.com/g/ontolog-forum> to discuss your idea with the
formal ontology community <https://ontologforum.com/index.php/WikiHomePage>
of practice.
It is possible to formalize theoretical knowledge of any science or
technology.
As an entry point to formal ontologies in chem have a look at [1].
Best regards.
Alex Shkotin
[1] https://www.degruyter.com/document/doi/10.1515/pac-2021-2007/html
пн, 12 февр. 2024 г. в 15:04, Yiming Xu <cl-isabelle-users@lists.cam.ac.uk>:
Email Gateway (Feb 13 2024 at 14:46):From: Alexandre Rademaker <arademaker@gmail.com>
Hi Yiming,
I would be very interested in any findings you could share in this area. I recently came across https://arxiv.org/abs/2210.12150, but my ignorance of chemistry prevents me from going further — I need to study a good introduction to chemicals book; references are welcome. This seems more related to the lines you described: deductive reasoning or formalization of chemical reactions. The work shared by Alex is also relevant since the ontologies may describe initial axioms and appropriate concepts and relations from the domain.
Best,
Alexandre
Email Gateway (Feb 13 2024 at 18:00):From: Adnan Rashid <cl-isabelle-users@lists.cam.ac.uk>
Hi Alexandre and Yiming
We did some formalization of reaction kinetics back in 2017 with its
application to biological systems. Please see
https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0180179.
It is equally applicable to the dynamical analysis of the chemical
reactions. This might be of your interest and can potentially be a starting
point.
Email Gateway (Feb 14 2024 at 11:10):From: Mike Stannett <cl-isabelle-users@lists.cam.ac.uk>
Hi - This sounds really interesting. I have a general interest in verifying
results from the physical sciences, and chemistry sounds like a good next
step. I've not had time to read the book or papers yet but please keep me
in the loop :)
Thanks, Mike
Dr Mike Stannett (he/his),
Departmental Director of One University,
Department of Computer Science,
The University of Sheffield.
My working days are Tuesday & Wednesday. There is no expectation that you
will respond to this email outside of your normal working hours.
Last updated: Apr 29 2024 at 04:18 UTC