Extended continuous similarity indices: theory and application for QSAR descriptor selection

Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon D. Kim, Ramón Alain Miranda‐Quintana, Károly Héberger

2022Journal of Computer-Aided Molecular Design31 citationsDOI

Topics & Concepts

Pairwise comparisonBinary numberCategorical variableComputer scienceCluster analysisMathematicsSimilarity (geometry)GeneralizationTheoretical computer scienceData miningAlgorithmArtificial intelligenceMachine learningArithmeticMathematical analysisImage (mathematics)Machine Learning in BioinformaticsComputational Drug Discovery MethodsRNA and protein synthesis mechanisms