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Month: March 2023

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Data Analysis Tools Macinchem Blog Science Apps

pro Fit data analysis

16 March 202325 May 2023 chris

pro Fit, a macOS application for curve fitting (linear and nonlinear regression), plotting, and data analysis for macOS. It runs natively on both Apple Silicon

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Macinchem Blog

Sheffield 9th Conference on Cheminformatics 

16 March 202322 May 2023 chris

The Sheffield Conference on Cheminformatics is always one of the highlights of the calendar, it will be held at The Edge, University of Sheffield, UK,

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Reviews Science Apps Software Reviews

A Review of LigandScout

13 March 202318 May 2023 chris

LigandScout from inte:ligand is a software tool that allows to rapidly and transparently derive 3D pharmacophores from structural data of macromolecule/ligand complexes in a fully automated and

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Reviews Science Apps Software Reviews

A review of LibraryMCS

13 March 202322 May 2023 chris

High-throughput screening (HTS) remains a cornerstone of drug discovery, but searching through the many thousands of potential hits remains a daunting process. One aspect of

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Hints and Tutorials Other Tips

LaTeX and MathML support in Pages and iBooks Author

13 March 202310 April 2023 chris

The latest version of Pages (version 6.1) and iBooks Author (version 2.0) include support for LaTeX and MathML, this is an interesting addition that will

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Data Analysis Tools Hints and Tutorials Reviews Science Apps Software Reviews

A Review of Instant JChem

13 March 202310 April 2023 chris

ChemAxon are a software company that produce a variety of cheminformatics applications and software development modules. A key driver for development has been maintaining portability among

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Reviews Science Apps Software Reviews

A Review of Forge V10.2 on the cylindrical MacPro

12 March 202318 May 2023 chris

Now that I have my new MacPro I thought it might be interesting to try out a couple of the software packages that I’ve previously

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Reviews Science Apps Software Reviews

A Review of ForgeV10

12 March 202310 April 2023 chris

ForgeV10 is the latest offering from Cresset, whilst a new product those familiar with FieldAlign and FieldTemplater will recognise much of the functionality. ForgeV10 allows the

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Applescript Hints and Tutorials

Search un1Chem from ChemDraw

12 March 202326 October 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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Applescript Hints and Tutorials

Convert ChemDraw to Tiff

12 March 202310 April 2023 chris

ChemDraw from CambridgeSoft has excellent Applescript support. I’m sure many chemists use ChemDraw to create the structures and figures for publications, and whilst ChemDraw can

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    I'm in London for the RSC BMCS committee meeting. Looking around Burlington House I'm reminded what a great venue this is for scientific meetings. The next one I'll be at is Analyticode 2006 on 16 March 2026 www.rsc.org/events/detai.... Still time to register.
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    Using t-SNE to provide an interactive visualisation

    t-distributed stochastic neighbor embedding (t-SNE) is a statistical method for visualizing high-dimensional data by giving each datapoint a location in...
  • View post by on Bluesky

    @macinchem.bsky.social 7 days

    SpaceLightN

    SpaceLightN is a command line tool from Prof. Rarey (University of Hamburg) for similarity-based virtual screening in large combinatorial fragment spaces. It utilizes well-known fingerprints methods such as the...

    https://macinchem.org/2026/03/02/spacelightn/
  • View post by on Bluesky

    @macinchem.bsky.social 7 days

    Apply to lead a strategic research lab dedicated to fundamental artificial intelligence (AI) development. 

    https://macinchem.org/2026/03/02/apply-to-lead-a-strategic-research-lab-dedicated-to-fundamental-artificial-intelligence-ai-development/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Fortran on a Mac

    I've updated the Fortran on a Mac page https://macinchem.org/fortran-on-a-mac/ Now includes gcc-15.2-mx-bin.tar.gz, gfortran-15.2-mx-bin.tar.gz (gfortran only), updated Jan 2026 (Tahoe — Apple...

    https://macinchem.org/2026/02/28/fortran-on-a-mac-3/
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