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We have recorded VCD data for thirty pairs of small organic compounds and we use this database to validate a method for the automated analysis of VCD spectra and the assignment of absolute configuration: the\n                    <jats:italic>Cai\u2022factor<\/jats:italic>\n                    (Configuration: absolute information). The analysis of the data demonstrates that the procedure is a reliable and time-efficient method for determination of absolute configuration, which gives both the assignment and a measure of confidence in the outcome, even when the spectra are imperfect. The majority of molecules tested have a high confidence score and all of these have the correct assignment.\n                  <\/jats:p>","DOI":"10.1186\/s13321-023-00706-y","type":"journal-article","created":{"date-parts":[[2023,3,26]],"date-time":"2023-03-26T17:09:32Z","timestamp":1679850572000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Interpreting vibrational circular dichroism spectra: the Cai\u2022factor for absolute configuration with confidence"],"prefix":"10.1186","volume":"15","author":[{"given":"Jonathan","family":"Lam","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9404-8520","authenticated-orcid":false,"given":"Richard J.","family":"Lewis","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8693-9136","authenticated-orcid":false,"given":"Jonathan M.","family":"Goodman","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2023,3,21]]},"reference":[{"key":"706_CR1","doi-asserted-by":"crossref","unstructured":"Flack HD, Bernardinelli G (2008) The use of X-ray crystallography to determine absolute configuration. 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