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Day: 25 March 2023

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MOE 2015.10 Review

25 March 20231 April 2023 chris

The 2015.10 release of Chemical Computing Group’s Molecular Operating Environment (MOE) software includes a number of new features, enhancements and changes and I thought it might be

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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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Data Analysis Tools Reviews Science Apps Software Reviews

A Review of Wizard Pro

25 March 20231 April 2023 chris

Wizard is an intuitive data analysis tool, designed from the ground up to be readily accessible but still retain the power of sophisticated command line driven

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Data Analysis Tools Other Tips Reviews Science Apps

Stardrop update

25 March 20236 May 2023 chris

StarDrop is an application from Optibrium that was designed to aid decision making for scientists involved in drug discovery.  Virtual Library Enumeration  The Nova module allows

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Data Analysis Tools Reviews Science Apps Software Reviews

A Review of StarDrop

25 March 20231 April 2023 chris

StarDrop is an application from Optibrium that was designed to aid decision making for scientists involved in drug discovery. During the course of a drug discovery

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Data Analysis Tools Reviews Science Apps Software Reviews

A review of StatPlus:mac

25 March 20231 April 2023 chris

Whilst Excel has been around on the Mac platform since 1985 and is probably the leading spreadsheet application, the data analysis capabilities and statistical analysis

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Reviews Science Apps Software Reviews

Scientific Computing and Modelling Software

25 March 20231 April 2023 chris

It is sometimes difficult to keep the website up to date with some of the software that I don’t use and so I was delighted

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    @macinchem.bsky.social 2 days

    Cambridge Cheminformatics Network meeting

    The next Cambridge Cheminformatics Network Meeting is 11 November 2026, 4pm UK time at Cambridge Crystallographic Data Centre, Cambridge, UK and Online (Hybrid...
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    ChemDraft and open-source chemical drawing package

    A reader recently highlighted ChemDraft (https://chemdraft.ai). A lightweight, open-source (Apache-2.0) chemical drawing app for macOS and Windows. It is...
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    A couple of interesting posts

    I'm seeing an increasing number of useful utilities being developed using AI coding tools NISPO NISPO is an open-source, RDKit-based Python package for generating IUPAC names of molecules....

    https://macinchem.org/2026/11/02/a-couple-of-interesting-posts/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Burette Updated

    Burette is a macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids. There is a review of Burette here it can...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Avogadro Updated

    Avogadro is an advanced open source molecular editor and visualization tool. Download and installation instructions are here...
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  • A couple of interesting posts
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