Hit to lead and Machine learning
What is it about?
This paper describes using 3 dose response and cytotoxicity bayesian models for TB to predict 1924 additional molecules. This represents external testing on a pretty big scale.
Why is it important?
We sho the value of these models for predicting compounds from our lab and from the literature. We generally see >10 fold enrichment.
The following have contributed to this page: Dr Sean Ekins and Joel Freundlich