{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,29]],"date-time":"2026-01-29T22:19:23Z","timestamp":1769725163254,"version":"3.49.0"},"reference-count":15,"publisher":"American Chemical Society (ACS)","issue":"4","funder":[{"DOI":"10.13039\/100000054","name":"National Cancer Institute","doi-asserted-by":"publisher","award":["P01 CA67166"],"award-info":[{"award-number":["P01 CA67166"]}],"id":[{"id":"10.13039\/100000054","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2017,4,24]]},"DOI":"10.1021\/acs.jcim.6b00754","type":"journal-article","created":{"date-parts":[[2017,3,3]],"date-time":"2017-03-03T18:52:44Z","timestamp":1488567164000},"page":"875-882","source":"Crossref","is-referenced-by-count":78,"title":["Chemical Space Mimicry for Drug Discovery"],"prefix":"10.1021","volume":"57","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2682-0416","authenticated-orcid":true,"given":"William","family":"Yuan","sequence":"first","affiliation":[{"name":"Trinity\rCollege, University of Oxford, Oxford OX1 3BH, United Kingdom"},{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Dadi","family":"Jiang","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Dhanya K.","family":"Nambiar","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Lydia P.","family":"Liew","sequence":"additional","affiliation":[{"name":"Auckland\rCancer Society Research Centre, Faculty of Medical and Health Sciences, The University of Auckland, Auckland, New Zealand"}]},{"given":"Michael P.","family":"Hay","sequence":"additional","affiliation":[{"name":"Auckland\rCancer Society Research Centre, Faculty of Medical and Health Sciences, The University of Auckland, Auckland, New Zealand"}]},{"given":"Joshua","family":"Bloomstein","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Peter","family":"Lu","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Brandon","family":"Turner","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Quynh-Thu","family":"Le","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Robert","family":"Tibshirani","sequence":"additional","affiliation":[{"name":"Department of Statistics, Stanford University, Stanford, California 94305, United States"}]},{"given":"Purvesh","family":"Khatri","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"},{"name":"Institute for Immunity, Transplantation, and Infection & Division of Biomedical Informatics Research, Department of Medicine, Stanford University School of Medicine, Stanford, California 94305, United States"}]},{"given":"Mark G.","family":"Moloney","sequence":"additional","affiliation":[{"name":"Chemistry\rResearch Laboratory, University of Oxford, Oxford OX1 3TA, United Kingdom"}]},{"given":"Albert C.","family":"Koong","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology, Stanford University School of Medicine, Stanford, California 94305, United States"}]}],"member":"316","published-online":{"date-parts":[[2017,4,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/ja401184g"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ci500749q"},{"key":"ref3\/cit3","volume-title":"SMILES: A Line Notation and Computerized Interpreter for Chemical Structures","author":"Anderson E.","year":"1987"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkm843"},{"key":"ref5\/cit5","unstructured":"Karpathy, A.Multi-layer Recurrent Neural Networks for character-level language models in Torch (2015) .https:\/\/github.com\/karpathy\/char-rnn(accessed September 15, 2016)."},{"key":"ref6\/cit6","unstructured":"Chemical validity filtration was computed using Marvin, version 15.10.5.0 (http:\/\/www.chemaxon.com)."},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref8\/cit8","unstructured":"Bemis\u2013Murcko clustering was computed using JKlustor, version 15.10.5.0 (http:\/\/www.chemaxon.com)."},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ci025599w"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21707"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.semcancer.2015.04.010"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2010-08-303099"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkl999"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/ijc.25855"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-06-4277"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6b00754","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T21:02:18Z","timestamp":1681765338000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6b00754"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,4,3]]},"references-count":15,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2017,4,24]]}},"alternative-id":["10.1021\/acs.jcim.6b00754"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6b00754","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,4,3]]}}}