Genome Mining in Glass Chemistry Using Linear Component Analysis of Ion Conductivity Data.

ABSTRACT: Understanding the multivariate origin of physical properties is particularly complex for polyionic glasses. As a concept, the term genome has been used to describe the entirety of structure-property relations in solid materials, based on functional genes acting as descriptors for a particular property, for example, for input in regression analysis or other machine-learning tools. Here, the genes of ionic conductivity in polyionic sodium-conducting glasses are presented as fictive chemical entities with a characteristic stoichiometry, derived from strong linear component analysis (SLCA) of a uniquely consistent dataset. SLCA is based on a twofold optimization problem that maximizes the quality of linear regression between a property (here: ionic conductivity) and champion candidates from al

SUBMITTER: Pan Z 

PROVIDER: S-EPMC10375087 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature