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.

Installing and using the model

Heavy atoms model

Download the heavy atom model

Installation files

Heavy atoms model

Download the heavy atom model

How to use the model

Save the model file 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.