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Category: Macinchem Blog

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Macinchem Blog meetings

Some conferences and meetings that might be of interest.

23 August 202623 August 2026 chris

9th Artificial Intelligence in Chemistry Symposium (https://www.rscbmcs.org/events/aichem9/) Wednesday 2nd – Friday 4th September 2026, Churchill College Cambridge, UK. in person registration is closed but online

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Macinchem Blog

Next generation artificial intelligence (AI): explainable AI

11 August 202611 August 2026 chris

Apply for funding for projects focused on speculative and high-risk fundamental research with the potential to deliver high reward and a step change in the

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Macinchem Blog

OpenADMET PXR challenge PyMOL session file

7 August 20267 August 2026 chris

The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to improve predictive

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Macinchem Blog Other Tips

Quick Look Doctor

30 July 202630 July 2026 chris

In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g.

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Macinchem Blog Science Apps

Raymol, Molecular visualisation for Mac, Ipad, iPhone

30 July 202630 July 2026 chris

One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free

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Macinchem Blog Science Apps

ProLIF updated

29 July 202629 July 2026 chris

ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular

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Hints and Tutorials Macinchem Blog Software Reviews

Review of Burette

28 July 202630 July 2026 chris

How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application

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Macinchem Blog

Charity walk for MS Society

21 July 202621 July 2026 chris

In 2020 my wife Mary died from Multiple Sclerosis. Her brother used to regularly do the MS society walks, sadly he died this year so

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Macinchem Blog meetings

RSC CICAG Distillate Now Available

17 July 202617 July 2026 chris

The Summer 2026 edition of the CICAG Distillate has been published and can be downloaded from the CICAG website http://www.rsccicag.org/newsletters.htm. This CICAG Distillate includes articles covering

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Macinchem Blog

Stacks:- Run classic HyperCard stacks on modern macOS

13 July 202613 July 2026 chris

Someone just sent me this link, and it brings back many memories. Anyone else remember HyperCard? https://morphing.cloud/hypercard FEATURES

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    Clustering

    Clustering is an invaluable cheminformatics technique for subdividing a typically large compound collection into small groups of similar compounds. One of the advantages is that once clustered you can...

    https://macinchem.org/2026/10/01/clustering/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    Google Chrome Extension

    This a Google Chrome Extension, it allows you so select a drug name in a web page (for example), right-click and from the dropdown menu there is the option...
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    This a Safari Extension, it allows you so select a drug name in a web page and view the structure macinchem.org/2026/09/29/s...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    AlvaSketcher has been updated to include R-group support macinchem.org/2026/09/12/a...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    mlxmolkit updated

    mlxmolkit is a GPU-accelerated molecular toolkit using MLX on Apple Silicon, it is a port of nvMolKit that uses Cuda. It now includes AreaWhat it doesEntry pointConformersDrop-in for RDKit EmbedMolecules:...

    https://macinchem.org/2026/09/23/mlxmolkit-updated-2/

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