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  • Predicting New Reactions

    While working on my talk on robotics and artificial intelligence, I was sent a link to this paper (PDF) which I thought was worth a look. It’s from a team… Read More
  • The Algorithms Are Coming

    I think that every synthetic organic chemist should take a look at this paper in Angewandte Chemie. It’s on the application of computer algorithms to plan… Read More
  • One Step Beyond! Maybe More.

    There are plenty of useful drugs whose structures are, well, odd-looking. Antibiotics, as a class, have a lot of these: macrocycles, polyenes, polyhydroxylated… Read More
  • Pattern-Matching Binding Sites

    Here’s a recent paper that bears on the “How many binding pockets are there” question. Or maybe that’s the “How many different typ… Read More
  • Not Quite There Yet

    I’ve been meaning to blog about this paper, because its abstract certainly promises a lot: . . .Target prediction software based on machine learning model… Read More
  • Artificial Intelligence, You Say?

    Here’s a story from the Telegraph about a small company (Berg Pharmaceuticals), whose headline certainly got my attention: “Cancer drug development… Read More
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