Public articles linked to the same research event.
Advanced science (Weinheim, Baden-Wurttemberg, Germany) This study applied AI-guided phenotypic drug repurposing to drug-resistant Streptococcus pneumoniae, using ensembles of transformer, graph, and tree models trained on 1849 actives and 34 503 inactives to prospectively examine 6747 drugs, selecting 11 candidate antibiotics of which nine strongly reduced in vitro growth of S. pneumoniae R6 (IC50 ≤ 0.4 µg/mL), with the most potent drugs thiostrepton and ceftiofur showing IC50 values of 0.0001 µg/mL (60.1 pM) and 0.0004 µg/mL (764 pM), respectively, and thiostrepton remaining highly potent against multidrug-resistant strains.
This study applied AI-guided phenotypic drug repurposing to drug-resistant Streptococcus pneumoniae, using ensembles of transformer, graph, and tree models trained on 1849 actives and 34 503 inactives to prospectively examine 6747 drugs, selecting 11 candidate antibiotics of which nine strongly reduced in vitro growth of S. pneumoniae R6 (IC50 ≤ 0.4 µg/mL), with the most potent drugs thiostrepton and ceftiofur showing IC50 values of 0.0001 µg/mL (60.1 pM) and 0.0004 µg/mL (764 pM), respectively, and thiostrepton remaining highly potent against multidrug-resistant strains.
This study applied AI-guided phenotypic drug repurposing to drug-resistant Streptococcus pneumoniae, using ensembles of transformer, graph, and tree models trained on 1849 actives and 34 503 inactives to prospectively examine 6747 drugs, selecting 11 candidate antibiotics of which nine strongly reduced in vitro growth of S. pneumoniae R6 (IC50 ≤ 0.4 µg/mL), with the most potent drugs thiostrepton and ceftiofur showing IC50 values of 0.0001 µg/mL (60.1 pM) and 0.0004 µg/mL (764 pM), respectively, and thiostrepton remaining highly potent against multidrug-resistant strains.
This study applied AI-guided phenotypic drug repurposing to drug-resistant Streptococcus pneumoniae, using ensembles of transformer, graph, and tree models trained on 1849 actives and 34 503 inactives to prospectively examine 6747 drugs, selecting 11 candidate antibiotics of which nine strongly reduced in vitro growth of S. pneumoniae R6 (IC50 ≤ 0.4 µg/mL), with the most potent drugs thiostrepton and ceftiofur showing IC50 values of 0.0001 µg/mL (60.1 pM) and 0.0004 µg/mL (764 pM), respectively, and thiostrepton remaining highly potent against multidrug-resistant strains.