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Tag: cheminformatics

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Reviews Science Apps Software Reviews

Review of SDF Pro from Adroit DI. June 2023

5 November 202312 November 2023 chris

SDF Pro enables chemists to upload, organise, and integrate chemical and biological data at scale. With the ability to import and manage millions of data records

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Macinchem Blog Other Tips Science Apps

Parallel docking using EasyDock

5 November 20235 November 2023 chris

As virtual libraries get ever larger the challenges of virtual screening get larger. Whilst docking into a target protein is a very popular and successful

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Applescript Hints and Tutorials Macinchem Blog

Applescripts updated

29 October 202329 October 2023 chris

I’ve started adding a selection of useful applescripts, code can be copied from page or script downloaded. https://macinchem.org/category/applescript/ Applescript Description Print Clipboard This AppleScript prints

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Applescript Hints and Tutorials

Retrieve chemical structure for a chemical name

29 October 202329 October 2023 chris

This simple script allows you to copy a chemical name to the clipboard and then use the Chemical Identifier Resolver service to get the corresponding

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Macinchem Blog

Cambridge Cheminformatics Network Meeting, 6 December 2023

25 October 202325 October 2023 chris

Programme Assessing Conformations of Small Molecules Against the Cambridge Structural Database Patrick McCabe, Cambridge Crystallographic Data Centre https://www.ccdc.cam.ac.uk/ SILVR: Guided Diffusion for Molecule Generation Nicholas

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Macinchem Blog Other Tips

Excel update helps scientists

23 October 202323 October 2023 chris

Whilst Excel is widely regarded as ubiquitous I avoid using it for many reasons. In particular, the “helpful” automatic formatting of data. However it sounds

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Macinchem Blog Uncategorised

Next Cambridge Cheminformatics Network Meeting

20 October 202320 October 2023 chris

Due to building work at CCDC the date has changed, the meeting will now be 6 December 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via

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Data Analysis Tools Macinchem Blog Science Apps

StarDrop for the Cloud released

19 October 202319 October 2023 chris

StarDrop is now available in the cloud via Amazon Web Services (AWS). This means that we’re now able to provide the StarDrop software as a

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Macinchem Blog Science Apps

RDKit update released

16 October 202316 October 2023 chris

2023_09_1 (Q3 2023) Release https://github.com/rdkit/rdkit/releases/tag/Release_2023_09_1 Highlights Plus lots of other changes and enhancements

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Hints and Tutorials Macinchem Blog Science Apps

ChemSpider webinars

16 October 202316 October 2023 chris

I just want to mention some upcoming ChemSpider webinars Chemistry data is constantly evolving. We know you need to keep up with developments to elevate

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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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    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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    OpenADMET Challenge

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    MayaChemTools updated

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

    BindFlow – Macs in Chemistry

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    BindFlow

    https://macinchem.org/2025/09/29/bindflow/

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