{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,4]],"date-time":"2025-10-04T18:28:35Z","timestamp":1759602515677,"version":"3.37.3"},"reference-count":11,"publisher":"Oxford University Press (OUP)","issue":"5","license":[{"start":{"date-parts":[[2019,10,8]],"date-time":"2019-10-08T00:00:00Z","timestamp":1570492800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Science Foundation of China","doi-asserted-by":"publisher","award":["31570092"],"award-info":[{"award-number":["31570092"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"STS Programme","award":["QYZDB-SSW-SMC012"],"award-info":[{"award-number":["QYZDB-SSW-SMC012"]}]},{"name":"International Partnership Programme","award":["153D31KYSB20170121"],"award-info":[{"award-number":["153D31KYSB20170121"]}]},{"DOI":"10.13039\/501100002367","name":"Chinese Academy of Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002367","id-type":"DOI","asserted-by":"publisher"}]},{"name":"National Key Research and Development Programme","award":["2017YFC1601702"],"award-info":[{"award-number":["2017YFC1601702"]}]},{"DOI":"10.13039\/501100006606","name":"Natural Science Foundation of Tianjin","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006606","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,3,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>The biosynthetic ability of living organisms has important applications in producing bulk chemicals, biofuels and natural products. Based on the most comprehensive biosynthesis knowledgebase, a computational system, BCSExplorer, is proposed to discover the unexplored chemical space using nature\u2019s biosynthetic potential. BCSExplorer first integrates the most comprehensive biosynthetic reaction database with 280 000 biochemical reactions and 60 000 chemicals biosynthesized globally over the past 130 years. Second, in this study, a biosynthesis tree is computed for a starting chemical molecule based on a comprehensive biotransformation rule library covering almost all biosynthetic possibilities, in which redundant rules are removed using a new algorithm. Moreover, biosynthesis feasibility, drug-likeness and toxicity analysis of a new generation of compounds will be pursued in further studies to meet various needs. BCSExplorer represents a novel method to explore biosynthetically available chemical space.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>BCSExplorer is available at: http:\/\/www.rxnfinder.org\/bcsexplorer\/.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz755","type":"journal-article","created":{"date-parts":[[2019,10,2]],"date-time":"2019-10-02T11:20:13Z","timestamp":1570015213000},"page":"1642-1643","source":"Crossref","is-referenced-by-count":10,"title":["BCSExplorer: a customized biosynthetic chemical space explorer with multifunctional objective function analysis"],"prefix":"10.1093","volume":"36","author":[{"given":"Yu","family":"Tian","sequence":"first","affiliation":[{"name":"Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences , Tianjin 300308, P.R. China"},{"name":"University of Chinese Academy of Sciences , Beijing 100864, P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ling","family":"Wu","sequence":"additional","affiliation":[{"name":"Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences , Tianjin 300308, P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Le","family":"Yuan","sequence":"additional","affiliation":[{"name":"Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences , Tianjin 300308, P.R. China"},{"name":"University of Chinese Academy of Sciences , Beijing 100864, P.R. 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