Rik

This week in outrageous organic chemistry:

What do you get if you run a similarity exercise on 1.44M organic reactions? New blog! kmt.vander-lingen.nl/article/1031...
#chemsky

Database of chemical reactions The site offers an open-access database of chemical reactions, specified with reagents, catalysts, ligands, reactants and products

Digitizing organic chemical reaction space! New entries: Aspergilone A, Alanense B, Fumigaclavine F, Kuhistanicaol G and more. kmt.vander-lingen.nl and no paywall. #chemsky

also known as short-circuiting.

and wearing a bow-tie for the occasion.

Sometimes you have to brute-force the reaction and not worry about the black oil too much. Respect! #chemify

Every week I get an LLM to break down between 2000 or so chemical procedures from the USPTO into reactants, reagents and products with quantities and reaction conditions, doing a splendid job, better performance than the semantic tool that used to do the job. A degree of inaccuracy is acceptible

Analysis: experimentalist, distracted by thoughts of red wine, aborts the reaction and rushes home to start the weekend, now stuck with 22% recovered starting material. #chemsky

Digitizing organic reaction space! New additions: (-)-Lepadiformine A, kavaratamide A (twice!), Colletotrichumolide, Rhodocorane L, Discorhabdin I, 1-Hydroxytaxuspine C and of course the latest uspto data #chemsky
kmt.vander-lingen.nl

Comparison of LLMs in extracting synthesis conditions and generating Q&A datasets for metal–organic frameworks Artificial intelligence, represented by large language models (LLMs), has demonstrated tremendous capabilities in natural language recognition and extraction. To further evaluate the performance of va...

In my work the GPT model is fine-tuned which makes a big difference. Will the race have a different outcome if fine-tuning is added? #chemsky
DOI doi.org/10.1039/D5DD...

No, I have the annual reaction SMILES file publication and also an XML export option on a per-reaction basis but that is it.

Interpreting biochemical text with language models: a machine learning framework for reaction extraction and cheminformatic validation Recent advancements in large language models (LLMs) offer new opportunities for automating the manual curation of biochemical reaction databases from scientific literature. In this study, we present a...

www.biorxiv.org/content/10.1...
Cited! Well, at least mentioned but for the remainder of the evening I will be dancing!

Is the right answer!

Not Kos either

No

Nice try but the makers insist grape juice and anthocyanin will do the trick

Bonus clue. The central mountain range has lots of copper.The rock collection as dragged home. Which island?

Final clue. Since when is wine blue? Again, on which island? #chemsky

Next clue. The proper setup for any distillation, but what island?

European Chemistry Vacation part XVII. Clearly some ancient but advanced organic chemistry going on here, nonacyclo[16.14.0.02,17.03,12.04,30.05,11.06,29.023,32.024,33]dotriacontane? But what city?

Pyrophoric? #chemsky

To quote: "Most journals include guidance on nomenclature, and commonly recommend systematic naming based on Chemical Abstracts Service (CAS) and IUPAC nomenclature. But the use of general descriptors such as ‘polypeptide 14a’ is common practice, culturally embedded for organic chemists"

Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals Beilstein Journal of Organic Chemistry

Reading! #chemsky
doi.org/10.3762/bjoc...

Blogging since 2007 and a new blog is out! kmt.vander-lingen.nl/articles #chemsky

And then what? Stuff a missile with said energetic materials and bomb Ukraine? #chemsky

We have a clear winner. #chemsky

Agree

Chemical Process Development in the Pharmaceutical Industry in Europe—Insights and Perspectives from Industry Scientists What are the tasks of chemical process development in the pharmaceutical industry? What are trends and challenges? This Scientific Perspective written by members of the European pharmaceutical indust...

Reading (open access!)
onlinelibrary.wiley.com/doi/10.1002/...
#chemsky

Database of chemical reactions The site offers an open-access database of chemical reactions, specified with reagents, catalysts, ligands, reactants and products

CRD update! New datasets Taiwaniadduct I, Labionin and (-)-Ajmalicine. kmt.vander-lingen.nl #chemsky

Openai must have ran out of computing power. #chemsky