Identification of activity cliffs in structure-activity landscape of androgen receptor binding chemicals
R.P. Vivek-Ananth, Ajaya Kumar Sahoo, Shanmuga Priya Baskaran, Janani Ravichandran, Areejit Samal
Topics & Concepts
ExposomeAndrogen receptorChemical spaceQuantitative structure–activity relationshipSimilarity (geometry)Identification (biology)Computational biologyChemistryBiologyEcologyComputer scienceBioinformaticsDrug discoveryArtificial intelligenceGeneticsImage (mathematics)CancerProstate cancerComputational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies