Using open source Bayesian models for drug discovery
What is it about?
This work describes how open source FCFP6 descriptors and Bayesian algorithm are implemented in the CDD Vault. Various ADME/Tox and drug discovery models are built to demonstrate the utility. In addition models are built in other software and implemented in mobile apps such as MMDS.
Why is it important?
We demonstrate an approach using open source tools inside a commercial tool that can be used to export models and share them or enable secure sharing in the CDD Vault, This work is important as most of the technologies were not open source. The ability to share models represents a step forward for making models more accessible.
The following have contributed to this page: Dr Sean Ekins and Alex Michael Clark