The 2026 edition of the SMILES dataset is out! Up 70K entries in 2025, the total now stands at 1.44M, also with lots of data cleaning! #chemsky zenodo.org/records/1810...

Small molecules as relevant as ever #chemsky www.theguardian.com/commentisfre...

Website update with improved multistep synthesis visualisation. Sort of a graph. Example here: kmt.vander-lingen.nl/data/sequenc... #chemsky

OpenAI hallucinating again, must be the season #chemsky

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

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

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

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

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...

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

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

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

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

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

Openai must have ran out of computing power. #chemsky

If all reactions in the 1.25M CRD dataset (with reported reaction times) are run consecutively, the total reaction time is 1894 years. With the data collected over a timespan of 50 years, on average 38 reactions have been running simultaneously at all times to obtain the result. Have a nice weekend!

Another movie chemist at work! But how is the rotovapping going? #chemsky

Something going on? #chemsky

Now available on Figshare: the CRD 1.37M reaction SMILES dataset! #chemsky doi.org/10.6084/m9.f...

Wondering if this compound is cis or trans? (1R,4R)-N,N-dibenzyl-N'-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine. I see this notation too often.

Last day of the year, newly updated website! Now with 1.6 million organic reactions! #chemsky kmt.vander-lingen.nl

Welcome to the nineteen ninetees! We are here to STAY! #chemsky

Welcome to the nineteen eighties! Reaction in DMSO at 170 degrees? No problem! The water? No problem! Vacuum distill the product? No problem! #chemsky

Those nineteen seventies! #chemsky

Working on a new idea, retracing actual synthetic steps for each compound in the database. #chemsky

Hast du das schon wirst gelesen haben?

New Chemical reaction Database (CRD) update! Now with 1.4 million reaction records. Also new total synthesis reaction data sets for greensporone C, ethyl plakortide, asprenol B and a poison dart-frog alkaloid! #chemsky kmt.vander-lingen.nl

In the spirit of peace, love and sharing science now available on figshare: the openai fine-tuning dataset for scraping synthetic chemistry information from any procedure #chemsky doi.org/10.6084/m9.f...

Systematic name errors can have terrible consequences. #chemsky

5000 reactions processed (weekly uspto batch) by chtgpt-4o-mini with fine-tuning (30 reactions, currently for free) and with batch processing. Total costs: just over a dollar. #chemistry

Fume hoods in the news! #chemsky www.theguardian.com/science/arti...

Let's mingle! #chemsky

gpt-4o-mini better at summarizing chemical data? This I am trying to find out. Stay tuned!

Reaction du jour! #chemsky

Digitalizing organic reaction space! C[C@H]1CC[C@H](OC(C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)=O)[C@@H](C=O)C;C(C)(C)(C)[Si](C)(C)O[C@H](C(C)C)C\C=C(/C)\I>C1CCCO1;C(C)(C)(C)[Li];C[Zn]C>[Si](C)(C)(C(C)(C)C)O[C@@H](C/C=C(/[C@@H]([C@@H](C)[C@@H]1CC[C@@H]([C@@H](CC(O1)=O)O[Si](C(C)C)(C(C)C)C(C)C)C)O)\C)C(C)C

Digitalizing organic reaction space! Added Belzutifan, (+)-Randainin D, Macrotricolorin A datasets. #chemsky #chemie

Today's CRD data crunch! Reactions by reported yield! #chemistry

Reading www.theguardian.com/business/202...

I once thought that organic synthesis route planning software would be a lot further along by now than it is. Turns out, the people working on it feel the same way. What's the holdup?

Chemist on holiday, can’t resist tagging my favourite NMR solvent… #ChemSky

Nice to know: the #Anthropic Claude LLM API also understands summarizing organic synthetic procedures. #chemsky

It is a jungle out there. #chemsky

Organic reaction of the day.