Two Tribes
I’m sitting in an MIT conference on AI in drug discovery/development as I write this. One of the speakers here (Mathai Mammen, J&J/Janssen) just made a good point – not a new one, but a solid one...
View ArticleCalculating Your Way to Antivirals
My intent is to start mixing in some non-coronavirus posts along with my pandemic science coverage – you know, like the blog used to be way back earlier in the year (!) Today’s subject might be a good...
View ArticleMachine Learning On Top of DNA Encoded Libraries
DNA-encoded libraries are a technique that many in the field should be familiar with, and they’ve come up many times here on the blog. The basic idea is simple: you build up a set of small molecules...
View ArticleAI, Machine Learning and the Pandemic
It’s not surprising that there have been many intersections of artificial intelligence and machine learning with the current coronavirus epidemic. AI and ML are very hot topics indeed, not least...
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Generating Crazy Structures
I feel like a dose of good ol’ organic chemistry this morning, and a (virtual) meeting I attended yesterday gave me a paper to talk about that delivers some. I was speaking with a local group of...
View ArticleProtein Folding, 2020
Every two years there’s a big challenge competition in predicting protein folding. That is. . .well, a hard problem. Protein chains have (in theory) an incomprehensibly large number of possible folded...
View ArticleAI and Drug Discovery: Attacking the Right Problems
I’ve been meaning to write some more about artificial intelligence, machine learning, and drug discovery, and this paper (open access) by Andreas Bender is an excellent starting point. I’m going to be...
View ArticleMachine Learning Deserves Better Than This
This is an excellent overview at Stat on the current problems with machine learning in healthcare. It’s a very hot topic indeed, and has been for some time. There has especially been a flood of...
View ArticleMore Protein Folding Progress – What’s It Mean?
I last wrote about Deepmind’s efforts to predict protein folding and structure here, with their AlphaFold software. AlphaFold really performed very strongly in the 2020 protein folding challenge, and...
View ArticleA New Antibody-Dependent Enhancement Hypothesis
Here’s another post that I will regret writing, but a great many people have asked me about a new preprint that brings up the possibility of antibody-dependent enhancement with the current vaccines and...
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