A compound I synthesized was briefly an exciting lead as an anti-asthma drug. Turns out the reaction had not gone to completion and a precursor was covalently binding the target.
Note lesson here for deep learning, in @Dereklowe’s analysis.https://twitter.com/curiouswavefn/status/1166740485827747840 …
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I did AI for drug discovery in the mid-90s. Most of the work was data cleaning. J. Med. Chem. papers routinely included impossible structures. How believable were their assay values then? Cc
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I got a lot of flak from my boss. “We hired you to do AI, not spend all your time fixing published work!” The fantasy that fairy dust can somehow save you from the hard work of figuring out what data mean is perennial.
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Indeed. So now imagine building a search tool that lets you search and visualize this data fast. It means you’ll now be able to find - and use - bad data much faster than before.
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David Chapman Retweeted 🏴James Heathers 🏴
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