Gusar – create QSAR/QSPR models on the basis of the appropriate training sets

GUSAR software was developed to create QSAR/QSPR models on the basis of the appropriate training sets represented as SDfile contained data about chemical structures and endpoint in quantitative terms.

CONSENSUS PREDICTION

The final predicted value is estimated by taking into account a weighted average of the predicted values from each obtained QSAR model (QSAR models provide the predictions that are within the respective applicability domains). Predicted value obtained from each developed model is weighted on similarity value calculated during the evaluation of applicability domain. General scheme of the algorithm combined the result of QSAR modelling on the basis of QNA descriptors and PASS predicted biological activity profiles.

GENERAL SCHEME OF CONSENSUS PREDICTION