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As the majority of CASP programs have been designed to provide one or a few optimal routes, it is likely that the desired one will not be included. To avoid this, an exact algorithm that lists possible synthetic routes within the chemical reaction network is required, alongside a recommendation of synthetic routes that meet specified criteria based on the chemist\u2019s objectives. Herein, we propose a chemical-reaction-network-based synthetic route recommendation framework called \u201cCompRet\u201d with a mathematically guaranteed enumeration algorithm. In a preliminary experiment, CompRet was shown to successfully provide alternative routes for a known antihistaminic drug, cetirizine. CompRet is expected to promote desirable enumeration-based chemical synthesis searches and aid the development of an interactive CASP framework for chemists.<\/jats:p>","DOI":"10.1186\/s13321-020-00452-5","type":"journal-article","created":{"date-parts":[[2020,9,1]],"date-time":"2020-09-01T08:03:43Z","timestamp":1598947423000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":27,"title":["CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration"],"prefix":"10.1186","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1173-3157","authenticated-orcid":false,"given":"Ryosuke","family":"Shibukawa","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5638-3579","authenticated-orcid":false,"given":"Shoichi","family":"Ishida","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kazuki","family":"Yoshizoe","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kunihiro","family":"Wasa","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1798-7919","authenticated-orcid":false,"given":"Kiyosei","family":"Takasu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3596-4208","authenticated-orcid":false,"given":"Yasushi","family":"Okuno","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3914-248X","authenticated-orcid":false,"given":"Kei","family":"Terayama","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4288-1606","authenticated-orcid":false,"given":"Koji","family":"Tsuda","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2020,9,1]]},"reference":[{"issue":"1","key":"452_CR1","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1351\/pac196714010019","volume":"14","author":"EJ Corey","year":"1967","unstructured":"Corey EJ (1967) General methods for the construction of complex molecules. 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