Last release features

Automatic, simplified creation of (Q)SAR models

Enhanced choice of variables:

·    QNA descriptors

·    MNA based descriptors

·    Combinations between QNA, MNA descriptors and additional variables –

·     Topological length of a molecule

·     Topological volume of a molecule

·     Calculated lipophilicity

Improved algorithm of model building and prediction:

·    Self-consistent regression (SCR)

·    Radial basis function (RBF) neural networks regression

·    Both types of regression

·    Nearest neighbors’ prediction correction

·    Consensus of multiple models’ construction

·    Different methods for model validation.