{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T19:20:23Z","timestamp":1760296823452},"reference-count":37,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[2002,9,1]]},"DOI":"10.1021\/ci020017w","type":"journal-article","created":{"date-parts":[[2002,9,23]],"date-time":"2002-09-23T13:47:12Z","timestamp":1032788832000},"page":"1043-1052","source":"Crossref","is-referenced-by-count":30,"title":["The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context:\u2009 Experiments in Quantitative Structure\/Biodegradability Relationships"],"prefix":"10.1021","volume":"42","author":[{"given":"B.","family":"Cuissart","sequence":"first","affiliation":[{"name":"Centre d'\u00c9tudes et de Recherche sur le M\u00e9dicament de Normandie, UPRES EA 2126 5, rue Vaub\u00e9nard, Universit\u00e9 de Caen France, and Groupe de Recherche en \u00c9lectronique Informatique et Imagerie de Caen, CNRS-UMR6072 Universit\u00e9 de Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"F.","family":"Touffet","sequence":"additional","affiliation":[{"name":"Centre d'\u00c9tudes et de Recherche sur le M\u00e9dicament de Normandie, UPRES EA 2126 5, rue Vaub\u00e9nard, Universit\u00e9 de Caen France, and Groupe de Recherche en \u00c9lectronique Informatique et Imagerie de Caen, CNRS-UMR6072 Universit\u00e9 de Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"B.","family":"Cr\u00e9milleux","sequence":"additional","affiliation":[{"name":"Centre d'\u00c9tudes et de Recherche sur le M\u00e9dicament de Normandie, UPRES EA 2126 5, rue Vaub\u00e9nard, Universit\u00e9 de Caen France, and Groupe de Recherche en \u00c9lectronique Informatique et Imagerie de Caen, CNRS-UMR6072 Universit\u00e9 de Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"R.","family":"Bureau","sequence":"additional","affiliation":[{"name":"Centre d'\u00c9tudes et de Recherche sur le M\u00e9dicament de Normandie, UPRES EA 2126 5, rue Vaub\u00e9nard, Universit\u00e9 de Caen France, and Groupe de Recherche en \u00c9lectronique Informatique et Imagerie de Caen, CNRS-UMR6072 Universit\u00e9 de Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S.","family":"Rault","sequence":"additional","affiliation":[{"name":"Centre d'\u00c9tudes et de Recherche sur le M\u00e9dicament de Normandie, UPRES EA 2126 5, rue Vaub\u00e9nard, Universit\u00e9 de Caen France, and Groupe de Recherche en \u00c9lectronique Informatique et Imagerie de Caen, CNRS-UMR6072 Universit\u00e9 de Caen, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2002,9,23]]},"reference":[{"key":"ci020017wb00001\/ci020017wb00001_1","unstructured":"Council Directive 67\/548\/EEC relating to the classification, packaging and labeling of dangerous substances, as amended [OJ 196, 16.8.1967]."},{"key":"ci020017wb00002\/ci020017wb00002_1","unstructured":"Directive 88\/379\/EEC relating to the classification, packaging and labeling of dangerous preparations [OJ L 187, 16.7.1988]."},{"key":"ci020017wb00003\/ci020017wb00003_1","unstructured":"Council Regulation (EEC) 793\/93 on evaluation and control of risks of existing substances [OJ L 84, 5.4.1993]."},{"key":"ci020017wb00004\/ci020017wb00004_1","unstructured":"Directive 76\/769\/EEC relating to restrictions on the marketing and use of certain dangerous substances and preparations [OJ L 262, 27.9.1976]."},{"key":"ci020017wb00005\/ci020017wb00005_1","unstructured":"White paper Strategy for a future Chemicals Policy [OJ 88, 27.2.2001]."},{"key":"ci020017wb00006\/ci020017wb00006_1","volume-title":"Organisation for Economic Cooperation and Development","year":"1993"},{"key":"ci020017wb00007\/ci020017wb00007_1","first-page":"113","volume-title":"Biodegradability prediction","author":"Loonen H.","year":"1996"},{"key":"ci020017wb00008\/ci020017wb00008_1","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1080\/10629369608031702","volume":"5","author":"Langenberg J. H.","year":"1996","journal-title":"SAR QSAR Environ. Res."},{"key":"ci020017wb00009\/ci020017wb00009_1","doi-asserted-by":"crossref","first-page":"1417","DOI":"10.1016\/S0045-6535(98)00543-8","volume":"38","author":"Rorije E.","year":"1999","journal-title":"Chemosphere"},{"key":"ci020017wb00010\/ci020017wb00010_1","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1002\/etc.5620110502","volume":"11","author":"Howard P. H.","year":"1992","journal-title":"Environ. Toxicol. Chem."},{"key":"ci020017wb00011\/ci020017wb00011_1","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1021\/es00052a018","volume":"28","author":"Boethling R. S.","year":"1994","journal-title":"Environ. Sci. Technol."},{"key":"ci020017wb00012\/ci020017wb00012_1","doi-asserted-by":"crossref","first-page":"1768","DOI":"10.1002\/etc.5620180822","volume":"18","author":"Loonen H.","year":"1999","journal-title":"Environ. Toxicol. Chem."},{"key":"ci020017wb00013\/ci020017wb00013_1","first-page":"40","volume-title":"Biodegradability Prediction","author":"Klopman G.","year":"1996"},{"key":"ci020017wb00014\/ci020017wb00014_1","unstructured":"Council Directive 92\/32\/EEC amending for the seventh time Directive 67\/548\/EEC on the approximation of the laws, regulations and administrative provisions relative to the classification, packaging and labeling of dangerous substances, as amended [OJ L154, 5.6.1992]."},{"key":"ci020017wb00015\/ci020017wb00015_1","unstructured":"Commission Directive 93\/21\/EEC adapting to technical progress for the 18th time Council Directive 67\/548\/EEC on the approximation ofthe laws, regulations and administrative provisions relating to the classification, packaging and labeling of dangerous substances [OJ L 110, 4.5.1993]."},{"key":"ci020017wb00016\/ci020017wb00016_1","unstructured":"Commission Directive 96\/54\/EC adapting to technical progress for the twenty-second time Council Directive 67\/548\/EEC on the approximation of the laws, regulations and administrative provisions relating to the classification, packaging and labeling of dangerous substances [OJ L 248, 30.09.1996]."},{"key":"ci020017wb00018\/ci020017wb00018_1","volume-title":"OECD","author":"OECD","year":"1998"},{"key":"ci020017wb00019\/ci020017wb00019_1","unstructured":"The OECD Principles of Good Laboratory Practice, OECD, Paris, 1998."},{"key":"ci020017wb00020\/ci020017wb00020_1","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1002\/etc.5620060101","volume":"6","author":"Howard P. H.","year":"1987","journal-title":"Environ. Toxicol. Chem."},{"key":"ci020017wb00021\/ci020017wb00021_1","first-page":"28","volume":"3","author":"Takahashi Y.","year":"1987","journal-title":"Anal. Sci."},{"key":"ci020017wb00022\/ci020017wb00022_1","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1021\/ci00009a019","volume":"32","author":"Hagadone T. R","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci020017wb00024\/ci020017wb00024_1","doi-asserted-by":"crossref","first-page":"685","DOI":"10.1021\/ci00010a015","volume":"32","author":"Bayada D. M.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci020017wb00025\/ci020017wb00025_1","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1021\/ci010381f","volume":"42","author":"Raymond J. W.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci020017wb00026\/ci020017wb00026_1","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1021\/ci00031a005","volume":"21","author":"McGregor J. J.","year":"1981","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci020017wb00027\/ci020017wb00027_1","first-page":"34","volume":"42","author":"McGregor J. J","year":"1982","journal-title":"Software-Practice Experience"},{"key":"ci020017wb00028\/ci020017wb00028_1","first-page":"352","volume":"9","author":"Levi G","year":"1972","journal-title":"Calcolo"},{"key":"ci020017wb00029\/ci020017wb00029_1","first-page":"138","volume-title":"Probabilit\u00e9s et Statistiques","author":"Dacunha-Castelle D.","year":"1994"},{"key":"ci020017wb00030\/ci020017wb00030_1","volume-title":"Nearest Neighbor (NN) Norms: NN Patterns Classification Techniques","author":"Dasarathy B. V.","year":"1991"},{"key":"ci020017wb00031\/ci020017wb00031_1","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1007\/978-0-387-21606-5","volume-title":"The Elements of Statistical Learning","author":"Hastie T.","year":"2001"},{"key":"ci020017wb00032\/ci020017wb00032_1","volume-title":"Proceedings of the eleventh International Conference on Machine Learning; Morgan Kaufmann:","author":"Moore A. W.","year":"1994"},{"key":"ci020017wb00033\/ci020017wb00033_1","volume-title":"Signal Detection Theory and ROC Analysis","author":"Egan J. P.","year":"1975"},{"key":"ci020017wb00034\/ci020017wb00034_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-2685-5","volume-title":"Evaluation methods in medical informatics","author":"Friedman C.","year":"1997"},{"key":"ci020017wb00035\/ci020017wb00035_1","volume-title":"Proceedings of the Third International Conference on Knowledge Discovery and Data Mining (KDD-97)","author":"Provost F.","year":"1997"},{"key":"ci020017wb00036\/ci020017wb00036_1","first-page":"42","author":"Provost F.","year":"2001","journal-title":"Machine Learning J."},{"key":"ci020017wb00038\/ci020017wb00038_1","volume-title":"Concepts and applications of molecular similarity","author":"Johnson M.","year":"1990"},{"key":"ci020017wb00039\/ci020017wb00039_1","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/S0003-2670(00)82080-2","volume":"235","author":"Yuan S.","year":"1990","journal-title":"Anal. Chim. Acta"},{"key":"ci020017wb00040\/ci020017wb00040_1","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1021\/ci00010a009","volume":"32","author":"Takahashi Y.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci020017w","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,10]],"date-time":"2021-10-10T09:58:05Z","timestamp":1633859885000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci020017w"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2002,9,1]]},"references-count":37,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2002,9,1]]}},"alternative-id":["10.1021\/ci020017w"],"URL":"https:\/\/doi.org\/10.1021\/ci020017w","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[2002,9,1]]}}}