{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T06:30:55Z","timestamp":1790749855193,"version":"4.1.0"},"reference-count":74,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2023,4,10]],"date-time":"2023-04-10T00:00:00Z","timestamp":1681084800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,4,10]],"date-time":"2023-04-10T00:00:00Z","timestamp":1681084800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,4,10]],"date-time":"2023-04-10T00:00:00Z","timestamp":1681084800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100009619","name":"Japan Agency for Medical Research and Development","doi-asserted-by":"crossref","award":["JP20nk0101111"],"award-info":[{"award-number":["JP20nk0101111"]}],"id":[{"id":"10.13039\/100009619","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,4,24]]},"DOI":"10.1021\/acs.jcim.2c01623","type":"journal-article","created":{"date-parts":[[2023,4,10]],"date-time":"2023-04-10T11:27:20Z","timestamp":1681126040000},"page":"2360-2369","source":"Crossref","is-referenced-by-count":7,"title":["3D-Sensitive Encoding of Pharmacophore Features"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1377-944X","authenticated-orcid":true,"given":"Francois","family":"Berenger","sequence":"first","affiliation":[{"name":"Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4288-1606","authenticated-orcid":true,"given":"Koji","family":"Tsuda","sequence":"additional","affiliation":[{"name":"Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,4,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1351\/pac199870051129"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c00261"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-38752-y"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","unstructured":"Horvath, D.; Mao, B.; Gozalbes, R.; Barbosa, F.; Rogalski, S. L. Chemoinformatics in Drug Discovery; John Wiley & Sons, Ltd, 2005; Chapter 5, pp 117\u2013140.","DOI":"10.1002\/3527603743.ch5"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ci049885e"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.1.3.261"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-006-9078-7"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2007.09.007"},{"key":"ref9\/cit9","first-page":"441","volume":"54","author":"Horvath D.","year":"2009","journal-title":"Rev. Roum. Chim."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","unstructured":"Horvath, D. In  Chemoinformatics and Computational Chemical Biology; Bajorath, J., Ed. Humana Press: Totowa, NJ, 2011; pp 261\u2013298.","DOI":"10.1007\/978-1-60761-839-3_11"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.2147\/JRLCR.S46843"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00674"},{"key":"ref13\/cit13","unstructured":"Seidel, T.; Schuetz, D. A.; Garon, A.; Langer, T. In  Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research; Kinghorn, A. D., Falk, H., Gibbons, S., Kobayashi, J., Asakawa, Y., Liu, J.K., Eds. Springer International Publishing: Cham, 2019; pp 99\u2013141."},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0.CO;2-F"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ci6002416"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ci7003237"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01890"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00427"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty419"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2008.04.003"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ci200097m"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw287"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23123094"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25020385"},{"key":"ref26\/cit26","volume-title":"Molecular Operating Environment (MOE)","year":"2011","edition":"2011"},{"key":"ref27\/cit27","unstructured":"Landrum, G. RDKit: Open-Source Cheminformatics. http:\/\/www.rdkit.org (accessed 2021\u201307\u201308_."},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0290(199824)61:1<47::AID-BIT9>3.0.CO;2-Z"},{"key":"ref29\/cit29","unstructured":"Koes, D. R.; Camacho, C. J. Pharmer. https:\/\/sourceforge.net\/projects\/pharmer\/ (accessed 2022\u201312\u201307)."},{"key":"ref30\/cit30","unstructured":"Sunseri, J.; Koes, D. R. Pharmit. http:\/\/pharmit.csb.pitt.edu\/ (accessed 2022\u201312\u201307)."},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20235834"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232012462"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bti645"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-9-543"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21858"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq100"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ci900349y"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ci3000776"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-S1-O26"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ci300184x"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201700505"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-S1-P57"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00554"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00832"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00155"},{"key":"ref46\/cit46","first-page":"359","volume":"4","author":"Moreau G.","year":"1980","journal-title":"Nouv. J. Chim."},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-23"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.2307\/1390904"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.98.146401"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.5024611"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq542"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1109\/TSE.1983.235263"},{"key":"ref53\/cit53","unstructured":"Yianilos, P. N. Data Structures and Algorithms for Nearest Neighbor Search in General Metric Spaces. In  Proceedings of the Fourth Annual ACM-SIAM Symposium on Discrete Algorithms, Philadelphia, PA, USA, 1993; pp 311\u2013321."},{"key":"ref54\/cit54","unstructured":"Berenger, F. Bisec-tree library. http:\/\/github.com\/UnixJunkie\/bisec-tree (accessed 2022\u201312\u201302)."},{"key":"ref55\/cit55","unstructured":"Dohnal, V. Indexing Structures for Searching in Metric Spaces. Ph.D. thesis, Masaryk University, Brno, Czech Republic, 2004."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-540-77974-2","volume-title":"Computational Geometry: Algorithms and Applications","author":"Berg M. d.","year":"2008","edition":"3"},{"key":"ref57\/cit57","volume-title":"The OCaml System Release 4.12 - Documentation and User\u2019s Manual","author":"Leroy X.","year":"2021"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0332-0"},{"key":"ref59\/cit59","unstructured":"Inria, Institut National de Recherche en Sciences et Technologies\ndu Num\u00e9rique. https:\/\/www.inria.fr\/ (accessed 2022\u201312\u201307."},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq140"},{"key":"ref61\/cit61","unstructured":"Berenger, F. Classification and Regression Performance Metrics Library. https:\/\/github.com\/UnixJunkie\/cpmlib (accessed 2022\u201312\u201307)."},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv951"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ci050372x"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr120"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku928"},{"key":"ref66\/cit66","unstructured":"Kellenberger, E.; Muller, P.; Schalon, C.; Bret, G.; Foata, N.; Rognan, D.; Meslamani, J.; Desaphy, J.; Bret, G. sc-PDB. http:\/\/bioinfo-pharma.u-strasbg.fr\/scPDB\/ (accessed 2022\u201312\u201307)."},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.0c00422"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00118"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/ci100031x"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.2307\/2531595"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1038\/nrd.2016.230"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab294"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b01048"},{"key":"ref74\/cit74","unstructured":"Taminau, J.; Thijs, G.; De\nWinter, H.; Landrum, G. shape-it. https:\/\/github.com\/rdkit\/shape-it (accessed 2022\u201312\u201305)."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01623","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01623","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,24]],"date-time":"2023-04-24T08:36:58Z","timestamp":1682325418000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01623"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,4,10]]},"references-count":74,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2023,4,24]]}},"alternative-id":["10.1021\/acs.jcim.2c01623"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01623","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,4,10]]}}}