A Machine Learning Strategy for Drug Discovery Identifies Anti-Schistosomal Small Molecules
Kimberley M. Zorn, Shengxi Sun, Cecelia L. McConnon, Kelley Ma, Eric K. Chen, Daniel H. Foil, Thomas R. Lane, Lawrence J. Liu, Nelly El‐Sakkary, Danielle Skinner, Sean Ekins, Conor R. Caffrey
Abstract
, the prediction accuracy for active and inactives was 61% and 56% for somules and adults, respectively; also, hit rates were 48% and 34%, respectively, far exceeding the typical 1-2% hit rate for traditional high throughput screens.
Topics & Concepts
Schistosoma mansoniDrug discoverySchistosomaTropical diseaseBiologySchistosomiasisParasite hostingMachine learningComputational biologyDrugArtificial intelligenceComputer scienceDiseasePharmacologyBioinformaticsImmunologyMedicineHelminthsPathologyWorld Wide WebParasites and Host InteractionsHelminth infection and controlParasite Biology and Host Interactions