{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T16:41:29Z","timestamp":1761237689824},"reference-count":43,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2010,2,22]]},"DOI":"10.1021\/ci9003909","type":"journal-article","created":{"date-parts":[[2010,1,29]],"date-time":"2010-01-29T18:02:43Z","timestamp":1264788163000},"page":"221-239","source":"Crossref","is-referenced-by-count":7,"title":["Graph-Mining Algorithm for the Evaluation of Bond Formability"],"prefix":"10.1021","volume":"50","author":[{"given":"Fr\u00e9d\u00e9ric","family":"Pennerath","sequence":"first","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gilles","family":"Niel","sequence":"additional","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Philippe","family":"Vismara","sequence":"additional","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Philippe","family":"Jauffret","sequence":"additional","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Claude","family":"Lauren\u00e7o","sequence":"additional","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amedeo","family":"Napoli","sequence":"additional","affiliation":[{"name":"Sup\u00e9lec, Metz campus, 2 rue \u00c9douard Belin, 57070 Metz, France, Institut Charles Gerhardt Montpellier, UMR 5253, ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, LIRMM (UMII\/CNRS), 161 rue Ada, 34392 Montpellier, France, Montpellier, SupAgro, place Pierre Viala, 34060 Montpellier, France, Unit\u00e9 de Gestion de la Chimioth\u00e8que Nationale (CNRS), ENSCM, 8 rue de l\u2019\u00c9cole Normale, 34296 Montpellier, France, and Orpailleur Team, Loria, BP239, 54506, Vandoeuvre-l\u00e8s-Nancy, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2010,1,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1126\/science.3838594","volume":"228","author":"Corey E.","year":"1985","journal-title":"Science"},{"key":"ref2\/cit2","volume-title":"The Logic of Chemical Synthesis","author":"Corey E.","year":"1989"},{"key":"ref3\/cit3","volume-title":"Organic Synthesis: The Science Behind the Art","author":"Smit W.","year":"1998"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/0020-0271(63)90013-5","volume":"1","author":"Vleduts G. E.","year":"1963","journal-title":"Inf. Storage Retr."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1039\/qr9712500455","volume":"25","author":"Corey E.","year":"1971","journal-title":"Q. Rev. Chem. Soc."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1457","DOI":"10.1002\/9783527618279.ch44a","volume-title":"Handbook of Chemoinformatics","author":"Pfoertner M.","year":"2003"},{"key":"ref7\/cit7","first-page":"83","volume":"1","author":"Ott M.","year":"2004","journal-title":"Cheminformatics"},{"key":"ref8\/cit8","first-page":"798","volume":"8","author":"Hanessian S.","year":"2005","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2230","DOI":"10.1021\/ci060016u","volume":"46","author":"Chen W. L.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1021\/ci60022a007","volume":"20","author":"Gund P.","year":"1980","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"2409","DOI":"10.1039\/a706192g","volume":"24","author":"Bertz S. H.","year":"1997","journal-title":"Chem. Commun."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"378","DOI":"10.1021\/ci030415e","volume":"44","author":"Ruecker C.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref13\/cit13","volume-title":"Organic Chemistry Series","author":"Hanessian S.","year":"1983"},{"key":"ref14\/cit14","first-page":"618","volume-title":"Proceedings of the First European Conference on Computational Chemistry","author":"R\u00e9gin J.-C.","year":"1995"},{"key":"ref15\/cit15","unstructured":"R\u00e9gin, J.C.Ph.D. thesis, Universit\u00e9 des Sciences et Techniques du Languedoc, Montpellier, 1995."},{"key":"ref16\/cit16","first-page":"147","volume-title":"Proceedings of the 18th European Conference on Artificial Intelligence","author":"Pennerath F.","year":"2008"},{"key":"ref17\/cit17","volume-title":"Statistical Learning Theory","author":"Vapnik V. N.","year":"1998"},{"key":"ref18\/cit18","first-page":"13","volume-title":"PKDD","author":"Inokuchi A.","year":"2000"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"313","DOI":"10.1109\/ICDM.2001.989534","volume-title":"Proceedings of the 2001 IEEE International Conference on Data Mining","author":"Kuramochi M.","year":"2001"},{"key":"ref20\/cit20","first-page":"721","volume-title":"ICDM","author":"Yan X.","year":"2002"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1145\/1014052.1014134","volume-title":"Proceedings of the Tenth ACM SIGKDD International Conference on Knowledge Discovery and Data Mining","author":"Nijssen S.","year":"2004"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1613\/jair.43","volume":"1","author":"Cook D. J.","year":"1994","journal-title":"J. Artif. Intell. Res."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"939","DOI":"10.1021\/ci050039t","volume":"45","author":"Mah\u00e9 P.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","first-page":"225","volume-title":"Machine Learning","author":"Fr\u00f6hlich H.","year":"2005"},{"key":"ref25\/cit25","first-page":"305","volume-title":"Proceedings of the 5th International Joint Conference on Artificial Intelligence","author":"Mitchell T. M.","year":"1977"},{"key":"ref26\/cit26","first-page":"94","volume-title":"ICCS","author":"Ganter B.","year":"2004"},{"key":"ref27\/cit27","first-page":"326","volume-title":"DS \u201998: Proceedings of the First International Conference on Discovery Science","author":"Muggleton S.","year":"1998"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1021\/ci034254q","volume":"44","author":"Helma C.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1016\/0898-5529(90)90059-H","volume":"3","author":"Jauffret P.","year":"1990","journal-title":"Tetrahedron Comput. Methodol."},{"key":"ref30\/cit30","first-page":"307","volume-title":"Advances in Knowledge Discovery and Data Mining","author":"Agrawal R.","year":"1996"},{"key":"ref31\/cit31","volume-title":"Artificial Intelligence: A Modern Approach","author":"Russell S. J.","year":"2002","edition":"2"},{"key":"ref32\/cit32","first-page":"547","volume-title":"Proceedings of the 8th Conference on Extraction et gestion des connaissances (EGC\u20192008)","author":"Pennerath F.","year":"2008"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"861","DOI":"10.1016\/j.patrec.2005.10.010","volume":"27","author":"Fawcett T.","year":"2006","journal-title":"Pattern Recognit. Lett."},{"key":"ref34\/cit34","volume-title":"Information Retrieval","author":"van Rijsbergen C. J.","year":"1979","edition":"2"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"4602","DOI":"10.1016\/j.tet.2008.03.007","volume":"64","author":"Tanaka A.","year":"2008","journal-title":"Tetrahedron"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"5995","DOI":"10.1002\/ejoc.200800392","volume":"2008","author":"Tanaka A.","year":"2008","journal-title":"Eur. J. Org. Chem."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"681","DOI":"10.2174\/1389557043403765","volume":"4","author":"Baber J. C.","year":"2004","journal-title":"Mini-Rev. Med. Chem."},{"key":"ref38\/cit38","unstructured":"Long, A.; Chen, R.; Marby, C. A.; Sukharevsky, A. P.; Ohm, K.From Synthesis Planning to Combinatorial Chemistry: Applications of the Lhasa Suite, Presented at 228th ACS National Meeting, Philadelphia, PA, August 22\u221226, 2004; \u2009http:\/\/acscinf.org\/docs\/meetings\/228nm\/presentations\/228nm52.pdf(accessed Dec 17, 2009)."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1007\/BF02174466","volume":"3","author":"Gillet V.","year":"1995","journal-title":"Perspect. Drug Discovery Des."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1007\/s10822-006-9099-2","volume":"21","author":"Boda K.","year":"2007","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"593","DOI":"10.1021\/ci800228y","volume":"49","author":"Law J.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1109\/ICDM.2002.1183885","volume-title":"Proceedings of the 2002 IEEE International Conference on Data Mining (ICDM \u201902)","author":"Borgelt C.","year":"2002"},{"key":"ref43\/cit43","first-page":"4578","volume-title":"Proceedings of the IEEE International Conference on Systems, Man & Cybernetics","author":"Fischer I.","year":"2004"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci9003909","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,3,23]],"date-time":"2024-03-23T07:48:47Z","timestamp":1711180127000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci9003909"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,1,29]]},"references-count":43,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2010,2,22]]}},"alternative-id":["10.1021\/ci9003909"],"URL":"https:\/\/doi.org\/10.1021\/ci9003909","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,1,29]]}}}