{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T19:49:34Z","timestamp":1791920974031,"version":"4.3.4"},"reference-count":29,"publisher":"Oxford University Press (OUP)","issue":"D1","license":[{"start":{"date-parts":[[2021,11,12]],"date-time":"2021-11-12T00:00:00Z","timestamp":1636675200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100021373","name":"SIB Swiss Institute of Bioinformatics","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100021373","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2022,1,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>At several stages of drug discovery, bioisosteric replacement is a common and efficient practice to find new bioactive chemotypes or to optimize series of molecules toward drug candidates. The critical steps consisting in selecting which molecular moiety should be replaced by which other chemical fragment is often relying on the expertise of specialists. Nowadays, valuable support can be obtained through the wealth of dedicated structural and knowledge data. The present article details the update of SwissBioisostere, a database of\u00a0&amp;gt;25 millions of unique molecular replacements with data on bioactivity, physicochemistry, chemical and biological contexts extracted from the literature and related resources. The content of the database together with analysis and visualization capacities is freely available at www.swissbioisostere.ch.<\/jats:p>","DOI":"10.1093\/nar\/gkab1047","type":"journal-article","created":{"date-parts":[[2021,11,5]],"date-time":"2021-11-05T12:23:26Z","timestamp":1636115006000},"page":"D1382-D1390","source":"Crossref","is-referenced-by-count":52,"title":["SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface"],"prefix":"10.1093","volume":"50","author":[{"given":"Alessandro","family":"Cuozzo","sequence":"first","affiliation":[{"name":"Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, B\u00e2timent Amphipole, CH-1015 Lausanne, Switzerland"},{"name":"Department of Oncology UNIL-CHUV, University of Lausanne, Ludwig Institute for Cancer Research, Route de la Corniche 9A, CH-1066 Epalinges, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0074-7601","authenticated-orcid":false,"given":"Antoine","family":"Daina","sequence":"additional","affiliation":[{"name":"Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, B\u00e2timent Amphipole, CH-1015 Lausanne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3963-5965","authenticated-orcid":false,"given":"Marta A S","family":"Perez","sequence":"additional","affiliation":[{"name":"Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, B\u00e2timent Amphipole, CH-1015 Lausanne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Olivier","family":"Michielin","sequence":"additional","affiliation":[{"name":"Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, B\u00e2timent Amphipole, CH-1015 Lausanne, Switzerland"},{"name":"Department of Oncology, Precision Oncology Center, University Hospital of Lausanne, CH-1011 Lausanne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2336-6537","authenticated-orcid":false,"given":"Vincent","family":"Zoete","sequence":"additional","affiliation":[{"name":"Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, B\u00e2timent Amphipole, CH-1015 Lausanne, Switzerland"},{"name":"Department of Oncology UNIL-CHUV, University of Lausanne, Ludwig Institute for Cancer Research, Route de la Corniche 9A, CH-1066 Epalinges, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2021,11,12]]},"reference":[{"key":"2022022116490712000_B1","doi-asserted-by":"crossref","first-page":"252","DOI":"10.1073\/pnas.5.7.252","article-title":"The structure of atoms and the octet theory of valence","volume":"5","author":"Langmuir","year":"1919","journal-title":"Proc. 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