GUSAR: Learn More

GUSAR is a tool for analysis of quantitative and qualitative structure-activity/structure-property relationships ((Q)SAR/(Q)SPR) on the basis of the structural formulas of the compounds and data on their activity/property, and for prediction of activity/property for new compounds. The acronym stands for “General Unrestricted Structure-Activity Relationships”. GUSAR can be easily applied to different routine (Q)SAR tasks, for building many models, and for prediction by these models of the different quantitative/qualitative values simultaneously.


The GUSAR software provides the following functions:

– reading of SD files with data on chemical structures and their activities/properties;

– creation and validation of (Q)SAR models;

– prediction of the activities/properties for the new compounds by created activities/properties (Q)SAR models and saving the prediction results in SD or CSV files.