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Tag: chembl

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Data Analysis Tools Hints and Tutorials Macinchem Blog

ChEMBL 36 is out

26 September 202526 September 2025 chris

One of the most useful databases for anyone involved in studies involved in biologically active molecules. ChEMBL is a manually curated database of bioactive molecules

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Macinchem Blog

ChEMBL 15 Year Symposium 

25 June 2024 chris

I’m sure many people have used ChEMBL at some point or other and it is great to see a 15 year celebration. it is also

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Hints and Tutorials Other Tips Science Apps

Cheminformatics on a Mac

6 April 20236 April 2023 chris

There have been some changes with Homebrew which have meant that a few of the scientific applications are no longer available so I’ve decided to

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Reviews Science Apps Software Reviews

Comparison of bioactivity predictions

25 March 20231 April 2023 chris

Small molecules can potentially bind to a variety of bimolecular targets and whilst counter-screening against a wide variety of targets is feasible it can be

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Hints and Tutorials Vortex Scripts

Vortex script for flexible search using Un1chem

11 March 202312 April 2023 chris

UniChem is a web resource provided by the EBI, it is a ‘Unified Chemical Identifier’ system, designed to assist in the rapid cross-referencing of chemical structures,

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Hints and Tutorials Vortex Scripts

Vortex script for Getting UniChem data from ChEMBL

11 March 202312 April 2023 chris

UniChem is a web resource provided by the EBI, it is a ‘Unified Chemical Identifier’ system, designed to assist in the rapid cross-referencing of chemical structures,

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Hints and Tutorials Vortex Scripts

Vortex script for Accessing ChEMBL web services

11 March 202311 May 2023 chris

ChEMBL is a manually curated chemical database of bioactive molecules . It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory

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Hints and Tutorials Vortex Scripts

Using Un1Chem from within Vortex

11 March 20236 April 2023 chris

Un1Chem is a new web resource provided by the EBI, it is a ‘Unified Chemical Identifier’ system, designed to assist in the rapid cross-referencing of chemical

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Recent Posts

  • Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.
  • OpenADMET Challenge
  • MayaChemTools updated
  • BindFlow
  • ChEMBL 36 is out
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Also now on Bluesky @macinchem.bsky.social

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  • Get to this post

    @macinchem.bsky.social 1 week

    The latest Nobel prizes for economics highlight how innovation and support for science drives growth. A timely reminder to invest in research. www.nature.com/articles/d41...

    Economics Nobel prize won by researchers who showed how science boosts growth

    Joel Mokyr, Philippe Aghion and Peter Howitt share economics prize for work that underlines the importance of investing in research and development.

    www.nature.com

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    @macinchem.bsky.social 4 weeks

    Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.

    https://macinchem.org/2025/10/08/use-the-foundation-models-framework-to-access-the-on-device-llm-that-powers-apple-intelligence/
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    @macinchem.bsky.social 4 weeks

    OpenADMET Challenge

    https://macinchem.org/2025/10/05/openadmet-challenge/
  • Get to this post

    @macinchem.bsky.social 1 month

    MayaChemTools updated

    https://macinchem.org/2025/10/02/mayachemtools-updated-3/
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    @macinchem.bsky.social 1 month

    This looks interesting, binding free energy calculations macinchem.org/2025/09/29/b...

    BindFlow – Macs in Chemistry

    macinchem.org

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