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Posts tagged with "Chemical News"

  • Chemical News

    Simple Rings, Simply Wrong

    Medicinal chemists spend a lot of time thinking about the relative greasiness of their molecules. Being professional scientists, of course, we have come up with some slightly more quantitative phrases than “relative greasiness”, but that’s definitely the idea. How hydrophilic/hydrophobic a compound is determines not to what extent… Read More
  • Chemical News

    Versatile Optimization, While You Wait

    You’ll have noticed that scientific discovery often follows a template set by mathematics. A particular result gets generalized to a class, then other fields grow up around the relationship of that class to other classes and around the various ways to make those sorts of generalizations: higher levels of abstraction. Here are examples of some… Read More
  • Chemical News

    New Reactions And Where They’ll Come From

    Here’s a new paper calling for expanding the medicinal chemistry synthetic toolbox. There have been calls like this before, of course, but those weren’t wrong, either. It’s not hard to figure out how we’ve ended up where we are, though (links added to replace footnotes in the below paragraph): The limited set of reaction typ… Read More
  • Chemical Biology

    In Situ Click Chemistry For Antibiotics

    I have always had a liking for the technique of having target proteins assemble their own inhibitors. This goes under several names: target-guided synthesis or protein-templated reactions more generally, and in situ click chemistry when the triazole/alkyne reaction is used as the assembly method. But the idea is the same in each case. You bring… Read More
  • Chemical News

    Get With the Radical Program?

    I learned the basics of organic synthesis some years ago (at the hands of the recently retired Tom Goodwin, which for those who know him will seem quite fitting). But the way I learned it is still pretty similar to the way that students are learning it now, I think. Looking at textbooks (and every… Read More
  • Analytical Chemistry

    Cooling Crystals is Great. Except When It Isn’t.

    If you’ve ever been around an X-ray crystallography setup, one of the constants is a tube directing a blast of chilly vapor at the crystal that’s mounted for analysis. It’s usually a stream of cold nitrogen gas, often set up as a blast of the cold stuff surrounded by a second concentric layer of dry… Read More
  • Chemical News

    Automated Reaction Discovery Gets Smarter

    Here’s an interesting paper from the Cronin lab at Glasgow. It’s titled “Controlling an organic synthesis robot with machine learning to search for new reactivity”, and that title alone will make some of the readership here eager to hear more, while sending others fleeing in dismay. It seems difficult to be neutral about suc… Read More
  • Chemical News

    A Retrosynthesis Contest

    Here’s a retrosynthesis challenge from Merck KGaA in Darmstadt. They’re celebrating the company’s 350th anniversary, and this is apparently part of the festivities. Anyone can enter for free, and the company will choose up to 12 entrants to take part in the competition itself. As I understand it, each selected person/group will th… Read More
  • Analytical Chemistry

    The Entropic Term is Laughing At Us

    There are plenty of things to optimize in a med-chem project other than binding affinity. But if you don’t have at least some level of binding, you may not have a med-chem project. And while from the outside, you might think that understanding how and why compound A binds to a given target while compound… Read More
  • Analytical Chemistry

    Covalent Organic Frameworks

    Let us pause to consider the weirdness of diamond. Not because diamonds are rare – they’re not, at least compared to many other minerals and gemstones. But diamond itself has very unusual physical properties, and that comes down to its structure. As is well known to chemists, it’s a three-dimensional lattice of bonded sp3 carbons… Read More
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