Identification of structure–biodegradability relationships for ionic liquids – clustering of a dataset based on structural similarity
Ann-Kathrin Amsel, Oliver Olsson, Klaus Kümmerer
Abstract
In silico cluster analysis of the ionic liquids’ dataset revealed new insights into structure–biodegradability relationships for improved biodegradability to design fully mineralising ionic liquids (benign by design).
Topics & Concepts
Similarity (geometry)Identification (biology)Ionic liquidStructural similarityCluster analysisBiodegradationChemistryBiological systemMaterials scienceComputer scienceOrganic chemistryArtificial intelligenceBiochemistryBiologyImage (mathematics)CatalysisBotanyIonic liquids properties and applicationsAnalytical chemistry methods developmentChemistry and Chemical Engineering