Evaluating molecular fingerprint-based models of drug side effects against a statistical control
Berk A. Alpay, Mark Gosink, Derek Aguiar
Topics & Concepts
Fingerprint (computing)Ranking (information retrieval)Computer sciencePipeline (software)Side effect (computer science)Machine learningBenchmarkingMolecular descriptorStatistical modelDrugComputational biologyArtificial intelligencePharmacologyMedicineQuantitative structure–activity relationshipBiologyBusinessMarketingProgramming languageComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismBiosimilars and Bioanalytical Methods