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Hierarchically ordered spherical environment (HOSE) codes are the most popular such descriptions. We developed a method to extend these with stereochemistry information. It enables distinguishing atoms which would be considered identical in traditional HOSE codes. The use of our method is demonstrated by chemical shift predictions for molecules in the nmrshiftdb2 database. We give a full specification and an implementation.<\/jats:p>","DOI":"10.1021\/acsomega.9b00488","type":"journal-article","created":{"date-parts":[[2019,4,23]],"date-time":"2019-04-23T06:50:50Z","timestamp":1556002250000},"page":"7323-7329","source":"Crossref","is-referenced-by-count":35,"title":["Stereo-Aware Extension of HOSE Codes"],"prefix":"10.1021","volume":"4","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5990-4157","authenticated-orcid":true,"given":"Stefan","family":"Kuhn","sequence":"first","affiliation":[{"name":"De Montfort University , , , ,","place":["The Gateway, Leicester, U.K., LE1 9BH"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8261-9015","authenticated-orcid":true,"given":"Sean R.","family":"Johnson","sequence":"additional","affiliation":[{"name":"Michigan State University , , , ,","place":["East Lansing, Michigan, United States, 48824"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2019,4,23]]},"reference":[{"key":"2026090410090193700_cit1","first-page":"P001","volume-title":"Nomenclature of Organic\nChemistry","author":"Favre","year":"2014"},{"key":"2026090410090193700_cit2","unstructured":"Daylight Theory Manual. http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/."},{"key":"2026090410090193700_cit3","doi-asserted-by":"publisher","first-page":"355","DOI":"10.1016\/S0003-2670(01)83100-7","article-title":"Hose \u2013\na novel substructure code","volume":"103","author":"Bremser","year":"1978","journal-title":"Anal. 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