{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T12:50:21Z","timestamp":1740142221066,"version":"3.37.3"},"reference-count":20,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2021,4,8]],"date-time":"2021-04-08T00:00:00Z","timestamp":1617840000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,4,8]],"date-time":"2021-04-08T00:00:00Z","timestamp":1617840000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,4,8]],"date-time":"2021-04-08T00:00:00Z","timestamp":1617840000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"name":"Prosarix Ltd"},{"name":"ChemOvation Ltd."}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,4,26]]},"DOI":"10.1021\/acs.jcim.0c01261","type":"journal-article","created":{"date-parts":[[2021,4,15]],"date-time":"2021-04-15T00:45:19Z","timestamp":1618447519000},"page":"1778-1788","source":"Crossref","is-referenced-by-count":0,"title":["AUTOSTERE: Systematic Search for Scaffold Replacement Opportunities within Structural Databases"],"prefix":"10.1021","volume":"61","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5315-4578","authenticated-orcid":true,"given":"Jonathan R.","family":"Heal","sequence":"first","affiliation":[{"name":"RxCelerate Limited, Dorothy Hodgkin Building, Babraham Research Campus, Babraham, Cambridge CB22 3FH, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Joseph M.","family":"Sheridan","sequence":"additional","affiliation":[{"name":"RxCelerate Limited, Dorothy Hodgkin Building, Babraham Research Campus, Babraham, Cambridge CB22 3FH, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manisha","family":"Kulkarni","sequence":"additional","affiliation":[{"name":"ChemOvation Limited, 49 Arrivato Plaza, Hall Street, Saint Helens WA10 1GH, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Neill","family":"Liptrott","sequence":"additional","affiliation":[{"name":"Pharmacology Research Laboratories, University of Liverpool, Block H, First Floor, 70 Pembroke Place, Liverpool L69 3GF, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Deirdre","family":"Egan","sequence":"additional","affiliation":[{"name":"Pharmacology Research Laboratories, University of Liverpool, Block H, First Floor, 70 Pembroke Place, Liverpool L69 3GF, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saye","family":"Khoo","sequence":"additional","affiliation":[{"name":"Pharmacology Research Laboratories, University of Liverpool, Block H, First Floor, 70 Pembroke Place, Liverpool L69 3GF, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ian","family":"Matthews","sequence":"additional","affiliation":[{"name":"ChemOvation Limited, 49 Arrivato Plaza, Hall Street, Saint Helens WA10 1GH, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"William D. O.","family":"Hamilton","sequence":"additional","affiliation":[{"name":"RxCelerate Limited, Dorothy Hodgkin Building, Babraham Research Campus, Babraham, Cambridge CB22 3FH, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,4,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0.CO;2-F"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nature03192"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1007\/BF00124349"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ci060094h"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ja900089h"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/jm00076a016"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2011.10.024"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2010.02.018"},{"volume-title":"Molecular Operating Environment (MOE)","year":"2012","key":"ref9\/cit9"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1126\/science.1159961"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C0OB00146E"},{"key":"ref12\/cit12","unstructured":"RCSB PDB Protein\nData Bank - Ligand Expo Home page; http:\/\/ligand-expo.rcsb.org\/ (accessed Nov 12, 2018)."},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(05)80134-2"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.clinthera.2007.09.015"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1111\/j.1749-6632.2011.05961.x"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(01)81132-X"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jm030563w"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.2174\/156802609789895728"},{"key":"ref19\/cit19","unstructured":"Eggenweiler, H. M.; Wolf, M. Preparation of o-(s-triazol-3-yl)phenols as HSP90 inhibitors. Patent WO2006087077, 2006."},{"key":"ref20\/cit20","first-page":"799","volume":"12","author":"Lewiecki E. M.","year":"2009","journal-title":"IDrugs"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01261","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T08:33:20Z","timestamp":1682584400000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01261"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,4,8]]},"references-count":20,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2021,4,26]]}},"alternative-id":["10.1021\/acs.jcim.0c01261"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01261","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2021,4,8]]}}}