Naïve Bayesian Models for Vero Cell Cytotoxicity

  • Alexander L. Perryman, Jimmy S. Patel, Riccardo Russo, Eric Singleton, Nancy Connell, Sean Ekins, Joel S. Freundlich
  • Pharmaceutical Research, June 2018, Springer Science + Business Media
  • DOI: 10.1007/s11095-018-2439-9

Public Cytotoxicity Bayesian models

What is it about?

We developed Bayesian models with 8741 molecules with Vero cell cytotoxicity (CC50) data in the training set to predict external test sets. We made the compounds available.

Why is it important?

It is important that compounds must display a relative lack of mammalian cell cytotoxicity. The ability to predict this ahead of time could help identify better compounds.

Perspectives

Dr Sean Ekins
Collaborations in Chemistry

This follows on from our earlier work combining bioactivity and cytotoxicity data for TB compounds. Having a general cytotoxicity model could help numerous projects.

Read Publication

http://dx.doi.org/10.1007/s11095-018-2439-9

The following have contributed to this page: Dr Sean Ekins