{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T06:33:58Z","timestamp":1775630038262,"version":"3.50.1"},"reference-count":43,"publisher":"American Chemical Society (ACS)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,4,27]]},"DOI":"10.1021\/ci5006004","type":"journal-article","created":{"date-parts":[[2015,4,2]],"date-time":"2015-04-02T21:39:01Z","timestamp":1428010741000},"page":"882-895","source":"Crossref","is-referenced-by-count":95,"title":["PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties"],"prefix":"10.1021","volume":"55","author":[{"given":"Alexandre","family":"Borrel","sequence":"first","affiliation":[{"name":"INSERM, UMRS-973,\rMTi, Paris, France"},{"name":"University Paris Diderot, Sorbonne Paris Cit\u00e9, UMRS-973,\rMTi, Paris, France"},{"name":"University of Helsinki, Division of Pharmaceutical\rChemistry, Faculty of Pharmacy, Helsinki, Finland"}]},{"given":"Leslie","family":"Regad","sequence":"additional","affiliation":[{"name":"INSERM, UMRS-973,\rMTi, Paris, France"},{"name":"University Paris Diderot, Sorbonne Paris Cit\u00e9, UMRS-973,\rMTi, Paris, France"}]},{"given":"Henri","family":"Xhaard","sequence":"additional","affiliation":[{"name":"University of Helsinki, Division of Pharmaceutical\rChemistry, Faculty of Pharmacy, Helsinki, Finland"}]},{"given":"Michel","family":"Petitjean","sequence":"additional","affiliation":[{"name":"INSERM, UMRS-973,\rMTi, Paris, France"},{"name":"University Paris Diderot, Sorbonne Paris Cit\u00e9, UMRS-973,\rMTi, Paris, France"}]},{"given":"Anne-Claude","family":"Camproux","sequence":"additional","affiliation":[{"name":"INSERM, UMRS-973,\rMTi, Paris, France"},{"name":"University Paris Diderot, Sorbonne Paris Cit\u00e9, UMRS-973,\rMTi, Paris, France"}]}],"member":"316","published-online":{"date-parts":[[2015,4,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nrd892","volume":"1","author":"Hopkins A. A. L.","year":"2002","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"7770","DOI":"10.1021\/jm501045e","volume":"57","author":"Xue T.","year":"2014","journal-title":"J. Med. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"e2628","DOI":"10.1371\/journal.pntd.0002628","volume":"8","author":"Crowther G. J.","year":"2014","journal-title":"PLoS Negl. Trop. Dis."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"2518","DOI":"10.1021\/jm049131r","volume":"48","author":"Hajduk P. J.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nbt1273","volume":"25","author":"Cheng A. C.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1067","DOI":"10.1016\/S1359-6446(03)02902-7","volume":"8","author":"Brown D.","year":"2003","journal-title":"Drug Discovery Today"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/S1574-1400(08)00002-9","volume":"4","author":"Cheng A. C.","year":"2008","journal-title":"Annu. Rep. Comput. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1016\/j.cbpa.2011.05.020","volume":"15","author":"Fauman E. B.","year":"2011","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/S1574-1400(05)01011-X","author":"Lipinski C. a.","year":"2005","journal-title":"Annu. Reports Comp Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1021\/ci800324m","volume":"49","author":"Halgren T. a.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"2287","DOI":"10.1021\/ci300184x","volume":"52","author":"Desaphy J.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"5858","DOI":"10.1021\/jm100574m","volume":"53","author":"Schmidtke P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1027","DOI":"10.1021\/ci200613b","volume":"52","author":"Perola E.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2829","DOI":"10.1021\/ci200266d","volume":"51","author":"Krasowski A.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"360","DOI":"10.1021\/ci200454v","volume":"52","author":"Volkamer A.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"656","DOI":"10.1016\/j.drudis.2010.05.015","volume":"15","author":"P\u00e9rot S.","year":"2010","journal-title":"Drug Discovery Today"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"e1003302","DOI":"10.1371\/journal.pcbi.1003302","volume":"9","author":"Gao M.","year":"2013","journal-title":"PLoS Comput. Biol."},{"issue":"359","key":"ref18\/cit18","first-page":"389","volume":"15","author":"Hendlich M.","year":"1997","journal-title":"J. Mol. Graphics Modell."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"2041","DOI":"10.1021\/ci100241y","volume":"50","author":"Volkamer A.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1186\/1471-2105-10-168","volume":"10","author":"Le Guilloux V.","year":"2009","journal-title":"BMC Bioinformatics"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1755","DOI":"10.1002\/prot.21858","volume":"71","author":"Schalon C.","year":"2008","journal-title":"Proteins"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1021\/ci900349y","volume":"50","author":"Weill N.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1186\/1471-2105-9-543","volume":"9","author":"Yeturu K.","year":"2008","journal-title":"BMC Bioinformatics"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1466","DOI":"10.1021\/ci100210c","volume":"50","author":"Feldman H. J.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"e1003589","DOI":"10.1371\/journal.pcbi.1003589","volume":"10","author":"Tang G. W.","year":"2014","journal-title":"PLoS Comput. Biol."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"3237","DOI":"10.1038\/srep03237","volume":"3","author":"Dance I.","year":"2013","journal-title":"Sci. Rep."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1256","DOI":"10.1016\/j.drudis.2013.07.003","volume":"18","author":"Masini T.","year":"2013","journal-title":"Drug Discovery Today"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1186\/2251-6581-13-13","volume":"13","author":"Sivakumar S.","year":"2014","journal-title":"J. Diabetes Metab. Disord."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2302","DOI":"10.1093\/nar\/gki524","volume":"33","author":"Zhang Y.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ref30\/cit30","unstructured":"Hubbard, S. J.; Thornton, J.NACCESS, version 2.1.1, 1992."},{"key":"ref31\/cit31","unstructured":"Petitjean, M.RADI, version 4.0, 2014.http:\/\/petitjeanmichel.free.fr\/itoweb.petitjean.freeware.html."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1418","DOI":"10.1021\/ci1001263","volume":"50","author":"Milletti F.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1093\/bioinformatics\/btl079","volume":"22","author":"Burgoyne N. J.","year":"2006","journal-title":"Bioinformatics"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"3457","DOI":"10.1021\/jm070095g","volume":"50","author":"Eyrisch S.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/0022-2836(82)90515-0","volume":"157","author":"Kyte J.","year":"1982","journal-title":"J. Mol. Biol."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1111\/j.1469-1809.1936.tb02137.x","volume":"7","author":"Fisher R.","year":"1936","journal-title":"Ann. Eugen."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"3229","DOI":"10.1021\/ci500553a","volume":"54","author":"Krotzky T.","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1093\/bioinformatics\/btt024","volume":"29","author":"Gao M.","year":"2013","journal-title":"Bioinformatics"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1292","DOI":"10.1021\/ct501072t","volume":"11","author":"Cuchillo R.","year":"2015","journal-title":"J. Chem. Theory Comput."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/j.jbiotec.2011.12.005","volume":"159","author":"Nisius B.","year":"2011","journal-title":"J. Biotechnol."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/0014-5793(94)00648-2","volume":"349","author":"Villar H. O.","year":"1994","journal-title":"FEBS Lett."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"e63730","DOI":"10.1371\/journal.pone.0063730","volume":"8","author":"P\u00e9rot S.","year":"2013","journal-title":"PLoS One"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"331","DOI":"10.1021\/ci00008a012","volume":"32","author":"Petitjean M.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci5006004","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T11:17:32Z","timestamp":1682248652000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci5006004"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,4,16]]},"references-count":43,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2015,4,27]]}},"alternative-id":["10.1021\/ci5006004"],"URL":"https:\/\/doi.org\/10.1021\/ci5006004","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,4,16]]}}}