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Here you can download in Silico models (QSAR and read across) for specific properties, or programs to build up your own model
  • Description

    QSARpy v1.0 is a tool to develop quantitative models based on dissimilarity

    QSARpy is an evolution of SARpy. It breaks the molecules of the training set and extracts modulators, fragments associated to a difference in the property/activity value. First, QSARpy verifies if the molecule to predict and one of the molecules of the training set share part of the structure, and one or more modulators can explain the differences between them. Then, QSARpy calculates the property/activity for the target adding the modulator(s) value to the value associate to the training set molecule.

    Last Release
    December 21, 2018