About OCHEM OCHEM is a free open access site of annotated models and chemical data. OCHEM contains 1831772 experimental records for about 477 properties collected from
Category: Hints and Tutorials
Tutorials, Hints, Tips and Tricks
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One of the new features in the latest version of MOE from Chemical Computing Group is the Listener. The MOE socket listener provides an alternative to MOE/web
In a earlier script we looked at using the command line tool sddesc from Chemical Computing Group to calculate a number of molecular descriptors and then import them
One thing I’ve needed to do a couple of times recently is give an idea of how many similar compounds are available to the set
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
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
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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
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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
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