OpenEye Machine Learning and Molecule Explainer
Build machine learning models, assess model quality, visualize and understand the results – all in one environment.
Machine learning (ML) models are typically opaque to the user, producing predictions that are difficult, if not impossible to interpret.
Unlike other opaque approaches, the ML tools in Orion allow you to build models, assess quality, and understand your results in a chemically intuitive way.
In addition to building ML models, users also have access to pre-trained ML models for solubility and hERG toxicity.