This model calculates the “exact mass” of a molecule based upon the masses of the most abundant isotopes of its substituent atoms.
As such, this calculation will often be slightly different to the molecular weight calculation which is based upon average isotopic distributions. When installed, this 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
Exact mass model
To use this model within StarDrop, download and save the file in a convenient place.
Load it into StarDrop using the button on the Models tab.
Alternatively, the directory in which the model file has been saved can be added to the paths from which models are automatically loaded when StarDrop starts by selecting the File->Preference menu option and adding the directory under Models in the File Locations tab.
Installation files
Exact mass model
How to use the model
To use this model within StarDrop, download and save the file in a convenient place.
Load it into StarDrop using the button on the Models tab.
Alternatively, the directory in which the model file has been saved can be added to the paths from which models are automatically loaded when StarDrop starts by selecting the File->Preference menu option and adding the directory under Models in the File Locations tab.