Machine Learning Platform to Discover Novel Growth Inhibitors of Neisseria gonorrhoeae.
Janaina Cruz PereiraSamer S DaherKimberley M ZornMatthew SherwoodRiccardo RussoAlexander L PerrymanXin WangMadeleine J FreundlichSean EkinsJoel S FreundlichPublished in: Pharmaceutical research (2020)
This represents, to the best of our knowledge, the first machine learning approach to successfully predict novel growth inhibitors of this bacterium. To assist the chemical tool and drug discovery fields, we have made our curated training set available as part of the Supplementary Material and the Bayesian model is accessible via the web. Graphical Abstract.