{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T03:58:04Z","timestamp":1773719884046,"version":"3.50.1"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"15","license":[{"start":{"date-parts":[[2024,8,2]],"date-time":"2024-08-02T00:00:00Z","timestamp":1722556800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,8,2]],"date-time":"2024-08-02T00:00:00Z","timestamp":1722556800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,8,2]],"date-time":"2024-08-02T00:00:00Z","timestamp":1722556800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,8,12]]},"DOI":"10.1021\/acs.jcim.4c00516","type":"journal-article","created":{"date-parts":[[2024,8,2]],"date-time":"2024-08-02T11:56:13Z","timestamp":1722599773000},"page":"5944-5953","source":"Crossref","is-referenced-by-count":5,"title":["PheSA: An Open-Source Tool for Pharmacophore-Enhanced Shape Alignment"],"prefix":"10.1021","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7904-9637","authenticated-orcid":true,"given":"Joel","family":"Wahl","sequence":"first","affiliation":[{"name":"Scientific Computing Drug Discovery, Idorsia Pharmaceuticals Ltd, Hegenheimermattweg 91, CH-4123 Allschwil, Switzerland"}]}],"member":"316","published-online":{"date-parts":[[2024,8,2]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/jm0603365"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ci300601q"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23690"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-37908-6"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu692"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ci800315d"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-019-00236-6"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2008.04.003"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ci2002704"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C8RA09318K"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2016.12.087"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2016.09.071"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jm061277y"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ci500588j"},{"key":"ref17\/cit17","unstructured":"Stream (Java Platform SE 8). https:\/\/docs.oracle.com\/javase\/8\/docs\/api\/java\/util\/stream\/Stream.html (accessed July 5, 2024)."},{"key":"ref18\/cit18","unstructured":"ROCS. https:\/\/docs.eyesopen.com\/applications\/rocs\/ (accessed March 10, 2021)."},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21307"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1080\/10867651.1998.10487493"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21159"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01095"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ci900204y"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1093\/imamat\/6.1.76"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1093\/imamat\/6.3.222"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1093\/comjnl\/13.3.317"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1090\/S0025-5718-1970-0258249-6"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1090\/S0025-5718-1970-0274029-X"},{"key":"ref29\/cit29","unstructured":"OpenChemLib. https:\/\/github.com\/Actelion\/openchemlib (accessed July 16, 2021)."},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty081"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00618"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0371-6"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/jm00145a002"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/ci100221g"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/ci800064z"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-015-9870-3"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00383"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ci300184x"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ci800324m"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00142"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-14"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23081959"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ci800298z"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/ci400106g"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-016-9959-3"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2018.00011"},{"key":"ref47\/cit47","unstructured":"www.openmolecules.org. https:\/\/openmolecules.org\/help\/conformers.html (accessed July 2, 2024)."},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-012-9575-9"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-007-9151-x"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/D4MD00106K"},{"key":"ref51\/cit51","unstructured":"www.openmolecules.org. https:\/\/openmolecules.org\/help\/conformers.html#Superpose (accessed\nJuly 3, 2024)."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00516","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00516","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,12]],"date-time":"2024-08-12T08:17:54Z","timestamp":1723450674000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c00516"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,2]]},"references-count":51,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2024,8,12]]}},"alternative-id":["10.1021\/acs.jcim.4c00516"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c00516","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,2]]}}}