Optibrium

Analyse data and produce predictive models This module gives novice and expert users alike access to the tools needed to produce validated, predictive models. Output from the Auto-Modeller includes Glowing Molecule results.

Even if you are not an expert in modelling you can:

• Automatically generate predictive models
• Use multiple advanced modelling techniques, including Gaussian Processes, Random Forests, Radial Basis Functions, PLS and Decision Trees
• Train, test and validate: automatically split your data into sub-sets to rigorously choose and validate the best model
• Use a suite of built-in descriptors; MWt, logP, polar surface area and many other 2D structural descriptors are included with the Auto-Modeller

As an expert user you can also manually tune modelling methods, data sets and descriptors.

If you would like to know more about the Auto-Modeler, take a look at the FAQs.

The Auto-Modeler is available as an optional module for StarDrop. To find out more about StarDrop and the Auto-Modeller, to arrange an online demonstration or to try StarDrop for yourself, please contact us.