{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,8]],"date-time":"2026-02-08T14:40:50Z","timestamp":1770561650390,"version":"3.49.0"},"reference-count":26,"publisher":"American Chemical Society (ACS)","issue":"1","funder":[{"DOI":"10.13039\/100000052","name":"NIH Office of the Director","doi-asserted-by":"publisher","award":["U54 GM072970"],"award-info":[{"award-number":["U54 GM072970"]}],"id":[{"id":"10.13039\/100000052","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000179","name":"NSF Office of the Director","doi-asserted-by":"publisher","award":["0960306"],"award-info":[{"award-number":["0960306"]}],"id":[{"id":"10.13039\/100000179","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,1,27]]},"DOI":"10.1021\/ci400264f","type":"journal-article","created":{"date-parts":[[2013,12,1]],"date-time":"2013-12-01T15:45:11Z","timestamp":1385912711000},"page":"5-15","source":"Crossref","is-referenced-by-count":3,"title":["SCISSORS: Practical Considerations"],"prefix":"10.1021","volume":"54","author":[{"given":"Steven M.","family":"Kearnes","sequence":"first","affiliation":[{"name":"Department\rof Structural Biology, Stanford University, Stanford, California 94305, United States"}]},{"given":"Imran S.","family":"Haque","sequence":"additional","affiliation":[{"name":"Counsyl, 180 Kimball\rWay, South San Francisco, California 94080, United States"}]},{"given":"Vijay S.","family":"Pande","sequence":"additional","affiliation":[{"name":"Department\rof Structural Biology, Stanford University, Stanford, California 94305, United States"}]}],"member":"316","published-online":{"date-parts":[[2013,12,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1016\/j.drudis.2011.02.011","volume":"16","author":"Ripphausen P.","year":"2011","journal-title":"Drug Discovery Today"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/jm101020z","volume":"53","author":"Ripphausen P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1489","DOI":"10.1021\/jm040163o","volume":"48","author":"Rush T. S.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1038\/nbt1284","volume":"25","author":"Keiser M. J.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2202","DOI":"10.1021\/ci900113d","volume":"49","author":"Posner B. a.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"489","DOI":"10.1021\/ci700376c","volume":"48","author":"Lee H. S.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1847","DOI":"10.1021\/ci900109n","volume":"49","author":"Jones G.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"3862","DOI":"10.1021\/jm900818s","volume":"53","author":"Nicholls A.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref9\/cit9","first-page":"747","volume":"39","author":"Butina D.","year":"1999","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1021\/jm0603365","volume":"50","author":"Hawkins P. C. D.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","unstructured":"ROCS | OpenEye Scientific Software.http:\/\/www.eyesopen.com\/rocs."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1002\/jcc.21307","volume":"31","author":"Haque I. S.","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref13\/cit13","unstructured":"FastROCS | OpenEye Scientific Software.http:\/\/www.eyesopen.com\/fastrocs."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1075","DOI":"10.1021\/ci1000136","volume":"50","author":"Haque I. S.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2248","DOI":"10.1021\/ci200251a","volume":"51","author":"Haque I. S.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1186\/1758-2946-3-32","volume":"3","author":"Bolton E. E.","year":"2011","journal-title":"J. Cheminf."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","unstructured":"Bolton, E. E.; Wang, Y.; Thiessen, P. A.; Bryant, S. H.Annual Reports in Computational Chemistry;Elsevier B.V.:Amsterdam, 2008; Vol.4, pp217\u2013241.","DOI":"10.1016\/S1574-1400(08)00012-1"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"3503","DOI":"10.1021\/j100011a016","volume":"99","author":"Grant J. A.","year":"1995","journal-title":"J. Phys. Chem."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K","volume":"17","author":"Grant J. A.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref20\/cit20","unstructured":"Shape TK | OpenEye Scientific Software.http:\/\/www.eyesopen.com\/shape-tk."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1021\/ci0496797","volume":"45","author":"Vidal D.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","unstructured":"OEChem TK | OpenEye Scientific Software.http:\/\/www.eyesopen.com\/oechem-tk."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"560","DOI":"10.1021\/ci100011z","volume":"50","author":"Haque I. S.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","unstructured":"Haque, I. S.Accelerating Chemical Similarity Search Using GPUs and Metric Embeddings. Ph.D. thesis,Stanford University,Stanford, CA, 2011."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"572","DOI":"10.1021\/ci100031x","volume":"50","author":"Hawkins P. C. D.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref27\/cit27","unstructured":"OMEGA | OpenEye Scientific Software.http:\/\/www.eyesopen.com\/omega."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400264f","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T05:00:05Z","timestamp":1682485205000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400264f"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,12,16]]},"references-count":26,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2014,1,27]]}},"alternative-id":["10.1021\/ci400264f"],"URL":"https:\/\/doi.org\/10.1021\/ci400264f","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,12,16]]}}}