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Posts tagged with "Chemical News"

  • Chemical News

    Automated Route Finding (and Patent Busting)

    Here’s another look at retrosynthesis software, building on the earlier Chematica paper that looked at generating new routes to known compounds. This is a more detailed look at the same idea, using the software to both analyze the existing routes to marketed drugs (and the patent landscape around them) and to come up with new… Read More
  • Chemical News

    Nostalgie de la Boue

    Alfred Bader’s passing reminds me that there’s an earlier generation – now almost completely gone – that regarded the likes of Aldrich Chemical as fancy upstarts. There has (had?) always been a tradition in organic chemistry of making reagents fresh for your own use, either because there were no commercial suppliers (which i… Read More
  • Chemical News

    Alfred Bader, 1924-2018

    You didn’t hear much about Alfred Bader in recent years – he was elderly, retired, and moreover, his company (Aldrich, later Sigma-Aldrich) had in recent years dropped the Aldrich name from its public branding and now operates as MilliporeSigma. But if you’re at all connected with organic chemistry in the second half of the 20th… Read More
  • Biological News

    Right Side, Left Side

    I wrote here about chirality, on several levels, finishing up with some speculations on how we know our left hands from our right and why. As mentioned in that post, that’s one of those questions that can sound stupid and/or trivial until you start to think about it, and as the comments section proved, things… Read More
  • Chemical News

    Ah, Just Pour It Into Salt Water

    Today’s post is one for my fellow organic chemists to wonder over. This new paper from a group at the University of Bari describes a palladium-catalyzed coupling reaction of alkyllithiums and aryl halides. And that in itself is not that remarkable – it’s not easy to get that combination to go, not least because you might… Read More
  • Chemical News

    Machine Learning: Be Careful What You Ask For

    Let the machine learning wars commence! That’s my impression on reading over the situation I’m detailing today, at any rate. This one starts with this paper in Science, a joint effort by the Doyle group at Princeton and Merck, which used ML techniques to try to predict the success of Buchwald-Hartwig coupling reactions. The idea… Read More
  • Chemical News

    Here’s What’s Been Done Before

    I enjoyed this ACS Med. Chem. Letters perspective on AI and machine learning in medicinal chemistry. It has several good points to make, and it brought up one that I haven’t gone into here before: if you’re mining the literature, you will get what the literature can tell you. At the very best, the high… Read More
  • Analytical Chemistry

    Small Molecule Structures: A New World

    Word has been spreading rapidly about this preprint on Chemrxiv.org, from a joint UCLA/Caltech team. It details the use of the cryo-electron microscopy technique called micro-electron diffraction (MicroED) for the structure determination of small molecules, and it’s absolutely startling. I read it last night, with many exclamations along the… Read More
  • Analytical Chemistry

    Blue Light Coming Out of the NMR

    I really enjoyed this paper from Merck’s Process R&D group, but some readers will be saying “Yeah, but that’s just because you really enjoy photochemistry reactions”. The latter part is true, but it’s the sort of paper that we need to help drain some of the voodoo out of all the exciting photochemistry work that… Read More
  • Cancer

    Replacing Antibodies With Small Molecules

    As anyone who’s been following the oncology field knows, antibodies against either the PD-1 receptor or its ligand PD-L1 are about the biggest things going in the field right now. Hundreds of clinical trials are underway against various tumor types and in various combinations, in the effort to see how far the immuno-oncology idea can… Read More
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