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Tag: Chemaxon

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Generating IUPAC names for molecules

11 March 202326 October 2023 chris

I was recently asked if I could generate IUPAC names for a series of molecules for a patent filing. There are many chemical drawing packages

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    @macinchem.bsky.social 12 hours

    Vortex script using BioTransformer

    Prediction of the metabolism of small molecules is very challenging and so having a variety of different tools is always useful. I've previously written Vortex scripts to use SMARTCyp...

    Vortex script using BioTransformer

    Prediction of the metabolism of small molecules is very challenging and so having a variety of different tools is always useful. I've previously written Vortex scripts to use SMARTCyp and...

    macinchem.org

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    @macinchem.bsky.social 2 days

    BBEdit updated

    BBEdit everyone's favourite text editor has been updated to 15.5.5 This update contains only fixes for reported symptoms. Please see the release notes for previous versions for details on what is...

    https://macinchem.org/2026/02/20/bbedit-updated/
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    @macinchem.bsky.social 3 days

    AI Club for Biomedicine

    Well it was standing room only at the last nights Cambridge Cheminformatics Network meeting Co-folding special. Many thanks to all the speakers I'm sorry we did not have time...

    https://macinchem.org/2026/02/19/ai-club-for-biomedicine-2/
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    @macinchem.bsky.social 5 days

    Apple Event March 4th 2026

    Apple today announced a "special Apple Experience" in New York, London, and Shanghai, taking place on March 4, 2026 at 9:00am ET. Interesting that it is taking place simultaneously...

    Apple Event March 4th 2026

    Apple today announced a "special Apple Experience" in New York, London, and Shanghai, taking place on March 4, 2026 at 9:00am ET. Interesting that it is taking place simultaneously in...

    macinchem.org

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    @macinchem.bsky.social 7 days

    Grant funded high-throughput screening

    Apply for funding to run a high throughput screen (HTS) using AstraZeneca’s compound library and screening robots. There are two funding opportunities per year that are open to...

    https://macinchem.org/2026/02/16/grant-funded-high-throughput-screening/

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