Analyse data and produce predictive models
This module gives both novice and expert users access to the tools needed to produce validated, predictive models. Output from the Auto-Modeller includes Glowing Molecule results that help to visualise the structure-activity relationships captured from your chemistry and data.
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
If you would like to know more about the Auto-Modeler, take a look at the FAQs.
The Auto-Modeller 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.