The Partek® QSAR Solution™ is a comprehensive suite of advanced statistics, data mining, and interactive visualization tools tailored to identify significant correlations between chemical structures and biological activities.
The Partek QSAR Solution automatically selects the most predictive chemical properties and constructs validation models using cross-validation. The advanced statistics including parametric and nonparametric statistical tests for association, permutation tests, and simple linear, nonlinear, and partial correlation allow you to quickly and reliably identify patterns in your chemical and biological data. The interactive data visualization tools help you to determine outliers and other unexpected patterns.
Perform in silico predictions by creating and validating predictive SAR models using powerful tools such as genetic algorithms for optimal descriptor selection, linear or nonlinear neural networks for robust prediction, and cross-validation for accuracy estimation. Partek QSAR Solution is fast and memory efficient and can easily analyze and model even the largest compound libraries described by very high-dimensional descriptors and multiple biological activities.
Using Partek QSAR Solution, you can quickly make discoveries and reliably identify and quantify anomalies, outliers, and other trends in your data.
Try out our software for yourself with a free two week trial.