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Patrick Walters
950 posts
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Patrick Walters
@wpwalters
cheminformatics, machine learning, drug discovery, opinions
Boston
practicalcheminformatics.blogspot.com
Joined June 2009
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  • user avatar
    Patrick Walters
    @wpwalters
    Jan 8
    An interesting piece about Axiom Bio's work combining cell painting and machine learning to predict toxicity
    user avatar
    Alex Kesin
    @alexkesin
    Jan 8
    For a decade, techbio optimized the drug discovery "paper mill": more molecules, faster. But the hard part - knowing which ones will work safely in humans - hardly moved at all. Late last year, I spent time with Axiom Bio, a company built around the idea that the real bottleneck
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  • user avatar
    Patrick Walters
    @wpwalters
    Jul 22, 2025
    New Practical Cheminformatics post, "Three Papers Demonstrating That Co-folding Still Has a Ways to Go”. patwalters.github.io/Three-Papers-D…
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    Patrick Walters
    @wpwalters
    May 13, 2025
    New Practical Cheminformatics Post, "Useful RDKit Utils - A Mötley Collection of Helpful Routines" patwalters.github.io/Useful-RDKit-U…
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    Patrick Walters
    @wpwalters
    May 6, 2025
    The latest Practical Cheminformatics post, “The Trouble With Tautomers,” emerged from a discussion about the impact of tautomers on machine learning model predictions. patwalters.github.io/The-Trouble-Wi…
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    Patrick Walters
    @wpwalters
    Mar 24, 2025
    The latest addition (#33) to the Practical Cheminformatics Tutorials series explores Bayesian optimization of reaction conditions. github.com/PatWalters/pra…
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