A high-throughput phenotypic screen combined with an ultra-large-scale deep learning-based virtual screening reveals novel scaffolds of antibacterial compounds
Gabriele Scalia, Steven T. Rutherford, Ziqing Lu, Kerry R. Buchholz, Nicholas J. Skelton, Kangway V. Chuang, Nathaniel Diamant, Jan-Christian Hütter, Jerome-Maxim Luescher, Anh Miu, Jeff Blaney, Leo Gendelev, Elizabeth Skippington, Gregory J. Zynda, Nia Dickson, , Tommaso Biancalani
This study combines high-throughput screening with deep learning to identify novel antibacterial compounds, achieving a 90X higher hit rate than traditional methods.
bioRxiv · Sep 11, 2024 · PreprintBioinformatics