ToxProfiler: Toxicity-target profiler based on chemical similarity
Mohamed Diwan M. AbdulHameed, Ruifeng Liu, Patric Schyman, Daniel Sachs, Zhen Xu, Valmik Desai, Anders Wallqvist
Topics & Concepts
chEMBLToxicityChemical similarityComputer scienceChemical toxicityRanking (information retrieval)Set (abstract data type)Similarity (geometry)DatabaseChemical spaceDrug discoveryComputational biologyInformation retrievalBioinformaticsArtificial intelligenceChemistryBiologyStructural similarityImage (mathematics)Programming languageOrganic chemistryComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesMachine Learning in Materials Science