InSilico Tools - ChemFeat

istChemFeat is a standalone application (developed in Java) that performs the analysis of a given dataset of molecules on the basis of a set of relevant chemical features (functional groups and atom centered fragments). The user should provide a dataset where each molecule is assigned to a class, the application will produce a list of relevant chemical features with their statistics (number of occurrences and percentage of occurrences) for each of those classes. This output is useful for studying the dataset and deriving chemical rules to characterize the different user defined classes.

The application has been developed under the EU funded project ANTARES. It is released under the GPL 3 open source license and it can be freely downloaded from your private area (registration required).


Software type
Standalone application

It works on all system supporting Java. Java version 7 or higher required

Open source (GPL 3)

How to get it
Free download (registration required) from your private area