Rik
@rikvanderlingen.bsky.social
Rik writes about chemistry (mostly organic chemistry). Also curator of organic reaction database at https://kmt.vander-lingen.nl
Website update with improved multistep synthesis visualisation. Sort of a graph. Example here: kmt.vander-lingen.nl/data/sequenc... #chemsky
December 7, 2025 at 1:02 PM
Website update with improved multistep synthesis visualisation. Sort of a graph. Example here: kmt.vander-lingen.nl/data/sequenc... #chemsky
This week in outrageous organic chemistry:
October 21, 2025 at 7:22 PM
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
#chemsky
October 14, 2025 at 3:57 PM
What do you get if you run a similarity exercise on 1.44M organic reactions? New blog! kmt.vander-lingen.nl/article/1031...
#chemsky
#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
Database of chemical reactions
The site offers an open-access database of chemical reactions, specified with reagents, catalysts, ligands, reactants and products
kmt.vander-lingen.nl
October 13, 2025 at 3:42 PM
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
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
July 23, 2025 at 3:30 PM
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
kmt.vander-lingen.nl
July 12, 2025 at 8:34 PM
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
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...
DOI doi.org/10.1039/D5DD...
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...
doi.org
June 20, 2025 at 9:53 AM
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...
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!
Cited! Well, at least mentioned but for the remainder of the evening I will be dancing!
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
June 6, 2025 at 3:55 PM
www.biorxiv.org/content/10.1...
Cited! Well, at least mentioned but for the remainder of the evening I will be dancing!
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?
June 1, 2025 at 12:57 PM
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?
Blogging since 2007 and a new blog is out! kmt.vander-lingen.nl/articles #chemsky
April 12, 2025 at 5:18 PM
Blogging since 2007 and a new blog is out! kmt.vander-lingen.nl/articles #chemsky
CRD update! New datasets Taiwaniadduct I, Labionin and (-)-Ajmalicine. kmt.vander-lingen.nl #chemsky
Database of chemical reactions
The site offers an open-access database of chemical reactions, specified with reagents, catalysts, ligands, reactants and products
kmt.vander-lingen.nl
March 24, 2025 at 8:03 PM
CRD update! New datasets Taiwaniadduct I, Labionin and (-)-Ajmalicine. kmt.vander-lingen.nl #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!
February 22, 2025 at 1:32 PM
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!
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.
January 20, 2025 at 8:31 PM
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.