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Category: Science Apps

Finding scientific applications has always been a little hit and miss since there is no “science” category on the iTunes store. To help out I’ve created a database listing applications that I knew about

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Hints and Tutorials Other Tips Science Apps

ChemDraw Advanced User tips

9 March 202324 May 2023 chris

If you are a regular user of ChemDraw you may be aware of the keyboard shortcuts that enable to quickly enter chemical structures.In fact there

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Data Analysis Tools Macinchem Blog Science Apps Spectroscopy

MZmine is an open-source project for mass-spectrometry data processing

8 March 202325 May 2023 chris

Just came across this project, MZmine is an open-source project delivering a graphical, interactive software for mass-spectrometry data processing. Available on GitHub https://github.com/mzmine

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Data Analysis Tools Macinchem Blog Science Apps

StarDrop Updated

7 March 20235 May 2023 chris

StarDrop 7.4. This latest release contains several new features. https://optibrium.com/downloads/StarDrop%207.4%20Quick%20Start%20Guide.pdf Core Application​: * Added the ability to colour StarDrop data sets based on property values

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Macinchem Blog Reviews Science Apps Software Reviews

ChemDoodle Review

4 March 202311 May 2023 chris

ChemDoodle 3.0 from iChemLabs is the latest update of a chemical drawing package that also provides for support for many other types of chemical data such

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Reviews Science Apps Software Reviews

A review of ChemBioDraw Ultra

22 February 202322 February 2023 chris

ChemDraw available from Cambridgesoft has long been the perhaps the preferred package for drawing chemical structures for publication quality graphics, it also has been used as the

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Science Apps Spectroscopy

Spectroscopy page added

18 February 202315 April 2023 chris
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  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Next generation artificial intelligence (AI): explainable AI

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

    https://macinchem.org/2026/08/11/next-generation-artificial-intelligence-ai-explainable-ai/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    OpenADMET PXR challenge PyMOL session file

    The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Quick Look Doctor

    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. .sdf can be opened...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Raymol, Molecular visualisation for Mac, Ipad, iPhone

    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 Metal-based...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    ProLIF updated

    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 dynamics trajectories, docking...

    https://macinchem.org/2026/07/29/prolif-updated/

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