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We then introduce a kernelized version of PCovR and a sparsified extension, and demonstrate the performance of this approach in revealing and predicting structure-property relations in chemistry and materials science, showing a variety of examples including elemental carbon, porous silicate frameworks, organic molecules, amino acid conformers, and molecular materials.<\/jats:p>","DOI":"10.1088\/2632-2153\/aba9ef","type":"journal-article","created":{"date-parts":[[2020,7,28]],"date-time":"2020-07-28T22:19:01Z","timestamp":1595974741000},"page":"045021","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":36,"title":["Structure-property maps with Kernel principal covariates regression"],"prefix":"10.1088","volume":"1","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2260-7183","authenticated-orcid":false,"given":"Benjamin A","family":"Helfrecht","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4515-3441","authenticated-orcid":false,"given":"Rose K","family":"Cersonsky","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4824-6512","authenticated-orcid":false,"given":"Guillaume","family":"Fraux","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2571-2832","authenticated-orcid":false,"given":"Michele","family":"Ceriotti","sequence":"additional","affiliation":[]}],"member":"266","published-online":{"date-parts":[[2020,10,22]]},"reference":[{"key":"mlstaba9efbib1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.117.135502","volume":"117","author":"Faber","year":"2016","journal-title":"Phys. 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