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Month: March 2025

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Hints and Tutorials Macinchem Blog

Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery

31 March 202531 March 2025 chris

Whilst there are a number of chemistry aware spreadsheets Vortex, Stardrop, Datawarrior, InstantJChem, molsoft etc. many people still use Excel or Google sheets. Vexo is

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Macinchem Blog meetings

 Cambridge Cheminformatics Meeting on 23 April 2025

31 March 202531 March 2025 chris

Programme A Day in the Life of a Chief Data Science Officer: Making Data-Driven Decisions in Drug Discovery Layla Hosseini-Gerami, Ignota Labs https://www.ignotalabs.ai Targeting the

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Macinchem Blog Uncategorised

UK researcher high performance computing facilities: spring 2025

25 March 202525 March 2025 chris

This opportunity provides an open and flexible route to computational support for high quality projects across the entire UK Research and Innovation (UKRI) remit. Details

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Macinchem Blog meetings

Researcher Collaborations Grant

18 March 202525 March 2025 chris

RSC Researcher Collaborations Grant enables researchers to establish and develop national, international, interdisciplinary and cross-sector collaborations and networks. RSC members can apply for funding to

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Hints and Tutorials Science Apps

Checkmol

8 March 202525 March 2025 chris

Checkmol is a command-line utility program which reads molecular structure files in different formats and analyzes the input molecule for the presence of various functional groups

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Hints and Tutorials Jupyter Notebook Macinchem Blog Science Apps Vortex Scripts

Using DILIpred

2 March 2025 chris

Drug-induced liver injury (DILI) is a significant concern in drug discovery, in particular because it might only be observed late in large clinical studies, after

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    @macinchem.bsky.social 10 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 6 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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