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
Author: chris
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
![](https://macinchem.org/wp-content/uploads/2023/03/Screenshot-2023-03-11-at-08.59.03.png)
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
![](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