In a previous tutorial we made use of the Virtual Computational Chemistry Laboratory web service to calculate aLogP and LogS, both these results were returned in a
Month: March 2023
In previous scripts we have generated data using a local Java program, C program, PERL script, and SVL program. In this tutorial rather than have
![](https://macinchem.org/wp-content/uploads/2023/03/image-64.png)
This script is no longer needed since you can now add SMILES from the “Calculate Properties” option from the Tools menu. However, it is a
![](https://macinchem.org/wp-content/uploads/2023/03/image-60.png)
In previous scripts I’ve shown how to use a couple of command line applications to calculate physicochemical properties. In this tutorial we will use a
I first became aware of ChemDoodle several years ago when it was developed as an inexpensive chemical drawing package, over the years it has been refined and
ChemDraw is a very established chemical drawing package that probably sets the standard for publication quality chemical drawing. However, on the Mac platform in particular I
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
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
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
Today I was sent a license agreement as a 6 page pdf file, I was asked to sign the document and send it back. All