{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,7]],"date-time":"2026-02-07T19:56:13Z","timestamp":1770494173034,"version":"3.49.0"},"reference-count":20,"publisher":"Oxford University Press (OUP)","issue":"D1","license":[{"start":{"date-parts":[[2022,11,29]],"date-time":"2022-11-29T00:00:00Z","timestamp":1669680000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000289","name":"Cancer Research UK","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000289","id-type":"DOI","asserted-by":"publisher"}]},{"name":"\u2018canSAR: enhancing the drug discovery knowledgebase\u2019","award":["C35696\/A23187"],"award-info":[{"award-number":["C35696\/A23187"]}]},{"DOI":"10.13039\/100004917","name":"CPRIT","doi-asserted-by":"publisher","award":["RR210007"],"award-info":[{"award-number":["RR210007"]}],"id":[{"id":"10.13039\/100004917","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000289","name":"CRUK","doi-asserted-by":"publisher","award":["C309\/A11566"],"award-info":[{"award-number":["C309\/A11566"]}],"id":[{"id":"10.13039\/501100000289","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000289","name":"CRUK","doi-asserted-by":"publisher","award":["C2739\/A22897"],"award-info":[{"award-number":["C2739\/A22897"]}],"id":[{"id":"10.13039\/501100000289","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100009272","name":"Chordoma Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100009272","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Mark Foundation"},{"DOI":"10.13039\/100010269","name":"Wellcome Trust","doi-asserted-by":"publisher","award":["212969\/Z\/18\/Z"],"award-info":[{"award-number":["212969\/Z\/18\/Z"]}],"id":[{"id":"10.13039\/100010269","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Wellcome Trust Sir Henry Wellcome Postdoctoral Fellowship","award":["204735\/Z\/16\/Z"],"award-info":[{"award-number":["204735\/Z\/16\/Z"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2023,1,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>canSAR (https:\/\/cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson\u00a0Cancer Center,\u00a0canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and systems biology. Moreover, canSAR applies a unique suite of machine learning algorithms designed to inform drug discovery. Here, we describe the latest updates to the knowledgebase, including a focus on significant novel data. These include canSAR\u2019s ligandability assessment of AlphaFold; mapping of fragment-based screening data; and new chemical bioactivity data for novel targets. We also describe enhancements to the data and interface.<\/jats:p>","DOI":"10.1093\/nar\/gkac1004","type":"journal-article","created":{"date-parts":[[2022,11,28]],"date-time":"2022-11-28T22:29:52Z","timestamp":1669674592000},"page":"D1212-D1219","source":"Crossref","is-referenced-by-count":36,"title":["canSAR: update to the cancer translational research and drug discovery knowledgebase"],"prefix":"10.1093","volume":"51","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2242-6294","authenticated-orcid":false,"given":"Patrizio","family":"di\u00a0Micco","sequence":"first","affiliation":[{"name":"The Department of Genomic Medicine\u00a0& The Institute of Data Science in Oncology, MD Anderson Cancer Center , Houston, TX, USA"},{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1634-9034","authenticated-orcid":false,"given":"Albert A","family":"Antolin","sequence":"additional","affiliation":[{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"given":"Costas","family":"Mitsopoulos","sequence":"additional","affiliation":[{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"given":"Eloy","family":"Villasclaras-Fernandez","sequence":"additional","affiliation":[{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"}]},{"given":"Domenico","family":"Sanfelice","sequence":"additional","affiliation":[{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"},{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"given":"Daniela","family":"Dolciami","sequence":"additional","affiliation":[{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"}]},{"given":"Pradeep","family":"Ramagiri","sequence":"additional","affiliation":[{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"given":"Ioan\u00a0L","family":"Mica","sequence":"additional","affiliation":[{"name":"The Department of Genomic Medicine\u00a0& The Institute of Data Science in Oncology, MD Anderson Cancer Center , Houston, TX, USA"},{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"}]},{"given":"Joseph\u00a0E","family":"Tym","sequence":"additional","affiliation":[{"name":"The Department of Data Science, The Institute of Cancer Research , London, UK"}]},{"given":"Philip\u00a0W","family":"Gingrich","sequence":"additional","affiliation":[{"name":"The Department of Genomic Medicine\u00a0& The Institute of Data Science in Oncology, MD Anderson Cancer Center , Houston, TX, USA"}]},{"given":"Huabin","family":"Hu","sequence":"additional","affiliation":[{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1659-3034","authenticated-orcid":false,"given":"Paul","family":"Workman","sequence":"additional","affiliation":[{"name":"Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research , London, UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3367-2519","authenticated-orcid":false,"given":"Bissan","family":"Al-Lazikani","sequence":"additional","affiliation":[{"name":"The Department of Genomic Medicine\u00a0& The Institute of Data Science in Oncology, MD Anderson Cancer Center , Houston, TX, USA"}]}],"member":"286","published-online":{"date-parts":[[2022,11,29]]},"reference":[{"key":"2023010804333121700_B1","doi-asserted-by":"crossref","first-page":"D947","DOI":"10.1093\/nar\/gkr881","article-title":"canSAR: an integrated cancer public translational research and drug discovery resource","volume":"40","author":"Halling-Brown","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B2","doi-asserted-by":"crossref","first-page":"D1040","DOI":"10.1093\/nar\/gkt1182","article-title":"canSAR: updated cancer research and drug discovery knowledgebase","volume":"42","author":"Bulusu","year":"2014","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B3","doi-asserted-by":"crossref","first-page":"D938","DOI":"10.1093\/nar\/gkv1030","article-title":"canSAR: an updated cancer research and drug discovery knowledgebase","volume":"44","author":"Tym","year":"2016","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B4","doi-asserted-by":"crossref","first-page":"D917","DOI":"10.1093\/nar\/gky1129","article-title":"canSAR: update to the cancer translational research and drug discovery knowledgebase","volume":"47","author":"Coker","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B5","doi-asserted-by":"crossref","first-page":"D1074","DOI":"10.1093\/nar\/gkaa1059","article-title":"canSAR: update to the cancer translational research and drug discovery knowledgebase","volume":"49","author":"Mitsopoulos","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B6","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1038\/s41586-021-03819-2","article-title":"Highly accurate protein structure prediction with alphafold","volume":"596","author":"Jumper","year":"2021","journal-title":"Nature"},{"key":"2023010804333121700_B7","doi-asserted-by":"crossref","DOI":"10.3791\/62414","article-title":"Achieving efficient fragment screening at XChem facility at diamond light source","author":"Douangamath","year":"2021","journal-title":"J. Vis. Exp."},{"key":"2023010804333121700_B8","first-page":"D335","article-title":"PDBe: improved findability of macromolecular structure data in the PDB","volume":"48","author":"Armstrong","year":"2020","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B9","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1038\/nrd3913","article-title":"Objective assessment of cancer genes for drug discovery","volume":"12","author":"Patel","year":"2013","journal-title":"Nat Rev Drug Discov"},{"key":"2023010804333121700_B10","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"46","author":"Lipinski","year":"2001","journal-title":"Adv. Drug. Deliv. Rev."},{"key":"2023010804333121700_B11","doi-asserted-by":"crossref","first-page":"D439","DOI":"10.1093\/nar\/gkab1061","article-title":"AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models","volume":"50","author":"Varadi","year":"2022","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B12","doi-asserted-by":"crossref","first-page":"536","DOI":"10.1038\/nchembio.1867","article-title":"The promise and peril of chemical probes","volume":"11","author":"Arrowsmith","year":"2015","journal-title":"Nat. Chem. Biol."},{"key":"2023010804333121700_B13","doi-asserted-by":"crossref","first-page":"e1004597","DOI":"10.1371\/journal.pcbi.1004597","article-title":"Distinctive behaviors of druggable proteins in cellular networks","volume":"11","author":"Mitsopoulos","year":"2015","journal-title":"PLoS Comput. Biol."},{"key":"2023010804333121700_B14","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1186\/s13321-022-00606-7","article-title":"canSAR chemistry registration and standardization pipeline","volume":"14","author":"Dolciami","year":"2022","journal-title":"J Cheminform"},{"key":"2023010804333121700_B15","doi-asserted-by":"crossref","first-page":"D930","DOI":"10.1093\/nar\/gky1075","article-title":"ChEMBL: towards direct deposition of bioassay data","volume":"47","author":"Mendez","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B16","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/j.cell.2020.12.020","article-title":"The rise of molecular glues","volume":"184","author":"Schreiber","year":"2021","journal-title":"Cell"},{"key":"2023010804333121700_B17","doi-asserted-by":"crossref","first-page":"D1381","DOI":"10.1093\/nar\/gkaa807","article-title":"PROTAC-DB: an online database of PROTACs","volume":"49","author":"Weng","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B18","doi-asserted-by":"crossref","first-page":"D1045","DOI":"10.1093\/nar\/gkv1072","article-title":"BindingDB in 2015: a public database for medicinal chemistry, computational chemistry and systems pharmacology","volume":"44","author":"Gilson","year":"2016","journal-title":"Nucleic Acids Res."},{"key":"2023010804333121700_B19","doi-asserted-by":"crossref","first-page":"731","DOI":"10.4155\/fmc-2019-0231","article-title":"Public resources for chemical probes: the journey so far and the road ahead","volume":"13","author":"Antolin","year":"2021","journal-title":"Future Med. Chem."},{"key":"2023010804333121700_B20","doi-asserted-by":"crossref","first-page":"3636","DOI":"10.1038\/s41467-021-23463-8","article-title":"Pol\u03b8 inhibitors elicit BRCA-gene synthetic lethality and target PARP inhibitor resistance","volume":"12","author":"Zatreanu","year":"2021","journal-title":"Nat. Commun."}],"container-title":["Nucleic Acids Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/nar\/article-pdf\/51\/D1\/D1212\/48441545\/gkac1004.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/nar\/article-pdf\/51\/D1\/D1212\/48441545\/gkac1004.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,1,8]],"date-time":"2023-01-08T04:37:43Z","timestamp":1673152663000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/nar\/article\/51\/D1\/D1212\/6851107"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,11,29]]},"references-count":20,"journal-issue":{"issue":"D1","published-online":{"date-parts":[[2022,11,29]]},"published-print":{"date-parts":[[2023,1,6]]}},"URL":"https:\/\/doi.org\/10.1093\/nar\/gkac1004","relation":{},"ISSN":["0305-1048","1362-4962"],"issn-type":[{"value":"0305-1048","type":"print"},{"value":"1362-4962","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2023,1,6]]},"published":{"date-parts":[[2022,11,29]]}}}