{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,5]],"date-time":"2024-09-05T06:02:32Z","timestamp":1725516152583},"publisher-location":"Berlin, Heidelberg","reference-count":16,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783540693864"},{"type":"electronic","value":"9783540693871"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2008]]},"DOI":"10.1007\/978-3-540-69387-1_41","type":"book-chapter","created":{"date-parts":[[2008,7,31]],"date-time":"2008-07-31T02:38:34Z","timestamp":1217471914000},"page":"369-378","source":"Crossref","is-referenced-by-count":2,"title":["A Java Tool for the Management of Chemical Databases and Similarity Analysis Based on Molecular Graphs Isomorphism"],"prefix":"10.1007","author":[{"given":"Irene Luque","family":"Ruiz","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Miguel \u00c1ngel","family":"G\u00f3mez-Nieto","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"41_CR1","volume-title":"Computational Chemistry. A Practical Guide for Applying Techniques to Real World","author":"D. Young","year":"2004","unstructured":"Young, D.: Computational Chemistry. A Practical Guide for Applying Techniques to Real World. John Wiley & Sons, Chichester (2004)"},{"key":"41_CR2","volume-title":"Essentials in Computational Chemistry","author":"C.J. Cramer","year":"2002","unstructured":"Cramer, C.J.: Essentials in Computational Chemistry. John Wiley & Sons, Chichester (2002)"},{"key":"41_CR3","volume-title":"Introduction to Computational Chemistry","author":"F. Jensen","year":"2007","unstructured":"Jensen, F.: Introduction to Computational Chemistry. John Wiley & Sons, Chichester (2007)"},{"volume-title":"Structure-Property Correlations in Drug Research","year":"1996","key":"41_CR4","unstructured":"Van de Waterbeemd, H. (ed.): Structure-Property Correlations in Drug Research. Academic Press, Austin (1996)"},{"volume-title":"Concepts and Applications of Molecular Similarity","year":"1990","key":"41_CR5","unstructured":"Johnson, M.A., Maggiora, G.M. (eds.): Concepts and Applications of Molecular Similarity. John Wiley & Sons Ltd, Chichester (1990)"},{"key":"41_CR6","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1021\/ci9800211","volume":"38","author":"P. Willett","year":"1998","unstructured":"Willett, P.: Chemical Similarity Searching. J. Chem. Inf. Comput. Sci.\u00a038, 983\u2013996 (1998)","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"41_CR7","volume-title":"Exploring QSAR: Fundamentals and Applications in Chemistry and Biology","author":"C. Hansch","year":"1995","unstructured":"Hansch, C., Leo, A.: Exploring QSAR: Fundamentals and Applications in Chemistry and Biology. ACS Professional Reference Book, Washington DC (1995)"},{"key":"41_CR8","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"J.J. Irwin","year":"2005","unstructured":"Irwin, J.J., Shoichet, B.K.: ZINC- a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model.\u00a045, 177\u2013182 (2005)","journal-title":"J. Chem. Inf. Model."},{"key":"41_CR9","unstructured":"Chemistry Development Kit, \n                    \n                      http:\/\/www.sourceforge.net\/projects\/cdk"},{"key":"41_CR10","unstructured":"Bioeclipse, \n                    \n                      http:\/\/www.bioclipse.net"},{"key":"41_CR11","unstructured":"ChemAxon Kft., \n                    \n                      http:\/\/www.chemaxon.com"},{"key":"41_CR12","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1021\/ci00007a012","volume":"32","author":"A. Dalby","year":"1992","unstructured":"Dalby, A., Nourse, J.G., Hounshell, W.D., Gushurst, A., Grier, D.L., Leland, B.A., Laufer, J.: Description of Several Chemical-Structure File Formats Used by Computer-Programs. J. Chem. Inf. Comput. Sci.\u00a032, 244\u2013255 (1992)","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"41_CR13","unstructured":"Structure, \n                    \n                      http:\/\/sourceforge.net\/projects\/structure"},{"key":"41_CR14","doi-asserted-by":"publisher","first-page":"30","DOI":"10.1021\/ci034167y","volume":"44","author":"G. Cerruela Garc\u00eda","year":"2004","unstructured":"Cerruela Garc\u00eda, G., Luque Ruiz, I., G\u00f3mez-Nieto, M.A.: Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm. J. Chem. Inf. Comput. Sci.\u00a044, 30\u201341 (2004)","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"41_CR15","volume-title":"Unified Modeling Language User Guide","author":"G. Booch","year":"2005","unstructured":"Booch, G., Rumbaugh, J., Jacobson, I.: Unified Modeling Language User Guide, 2nd edn. Addison-Wesley Reading, Reading (2005)","edition":"2"},{"key":"41_CR16","unstructured":"Eclipse Software, \n                    \n                      http:\/\/www.eclipse.org"}],"container-title":["Lecture Notes in Computer Science","Computational Science \u2013 ICCS 2008"],"original-title":[],"link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-540-69387-1_41","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,3,2]],"date-time":"2019-03-02T06:10:40Z","timestamp":1551507040000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-540-69387-1_41"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008]]},"ISBN":["9783540693864","9783540693871"],"references-count":16,"URL":"https:\/\/doi.org\/10.1007\/978-3-540-69387-1_41","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2008]]}}}