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Heavy Atom Count

Apr 28, 2010

Heavy Atom Count

Apr 28, 2010

This “model” provides a count of the number of heavy atoms (i.e. not hydrogen) in a molecule. While labelled “model” this calculation is merely a simple property, but when installed will appear in StarDrop in the “Models” tab alongside the ADME QSAR models and other simple properties as a “Custom model”, allowing it to be calculated easily for any data set. If you’ve not used custom models before, details on how to install it are available on the following pages, along with the model file…

Installation

Save the model file (Heavy atoms.aim) into the StarDrop model files directory (in a default installation this will be “C:\Program Files\StarDrop\modelfiles”).

When you start StarDrop the model will appear in the list of available models.