{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,26]],"date-time":"2025-03-26T07:44:06Z","timestamp":1742975046068,"version":"3.40.3"},"publisher-location":"Cham","reference-count":29,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783319614694"},{"type":"electronic","value":"9783319614700"}],"license":[{"start":{"date-parts":[[2017,1,1]],"date-time":"2017-01-01T00:00:00Z","timestamp":1483228800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2017]]},"DOI":"10.1007\/978-3-319-61470-0_4","type":"book-chapter","created":{"date-parts":[[2017,6,20]],"date-time":"2017-06-20T09:54:59Z","timestamp":1497952499000},"page":"54-69","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Chemical Graph Transformation with Stereo-Information"],"prefix":"10.1007","author":[{"given":"Jakob Lykke","family":"Andersen","sequence":"first","affiliation":[]},{"given":"Christoph","family":"Flamm","sequence":"additional","affiliation":[]},{"given":"Daniel","family":"Merkle","sequence":"additional","affiliation":[]},{"given":"Peter F.","family":"Stadler","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2017,6,21]]},"reference":[{"key":"4_CR1","doi-asserted-by":"publisher","first-page":"414","DOI":"10.1021\/ci00003a008","volume":"31","author":"T Akutsu","year":"1991","unstructured":"Akutsu, T.: A new method of computer representation of stereochemistry. Transforming a stereochemical structure into a graph. J. Chem. Inf. Comput. Sci. 31, 414\u2013417 (1991)","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"4_CR2","unstructured":"Andersen, J.L.: Med\u00d8lDatschgerl (M\u00d8D) (2016). http:\/\/mod.imada.sdu.dk"},{"issue":"1","key":"4_CR3","doi-asserted-by":"publisher","first-page":"4","DOI":"10.1186\/1759-2208-4-4","volume":"4","author":"JL Andersen","year":"2013","unstructured":"Andersen, J.L., Flamm, C., Merkle, D., Stadler, P.F.: Inferring chemical reaction patterns using rule composition in graph grammars. J. Syst. Chem. 4(1), 4 (2013)","journal-title":"J. Syst. Chem."},{"key":"4_CR4","doi-asserted-by":"crossref","unstructured":"Andersen, J.L., Flamm, C., Merkle, D., Stadler, P.F.: Generic strategies for chemical space exploration. Int. J. Comput. Biol. Drug Des. 7(2\/3), 225\u2013258 (2014). http:\/\/arxiv.org\/abs\/1302.4006","DOI":"10.1504\/IJCBDD.2014.061649"},{"key":"4_CR5","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"73","DOI":"10.1007\/978-3-319-40530-8_5","volume-title":"Graph Transformation","author":"JL Andersen","year":"2016","unstructured":"Andersen, J.L., Flamm, C., Merkle, D., Stadler, P.F.: A software package for chemically inspired graph transformation. In: Echahed, R., Minas, M. (eds.) ICGT 2016. LNCS, vol. 9761, pp. 73\u201388. Springer, Cham (2016). doi:10.1007\/978-3-319-40530-8_5"},{"key":"4_CR6","doi-asserted-by":"publisher","first-page":"1085","DOI":"10.1021\/ci0200570","volume":"43","author":"G Benk\u00f6","year":"2003","unstructured":"Benk\u00f6, G., Flamm, C., Stadler, P.F.: A graph-based toy model of chemistry. J. Chem. Inf. Comput. Sci. 43, 1085\u20131093 (2003)","journal-title":"J. Chem. Inf. Comput. Sci."},{"issue":"10","key":"4_CR7","doi-asserted-by":"publisher","first-page":"1367","DOI":"10.1109\/TPAMI.2004.75","volume":"26","author":"L Cordella","year":"2004","unstructured":"Cordella, L., Foggia, P., Sansone, C., Vento, M.: A (sub) graph isomorphism algorithm for matching large graphs. IEEE Trans. Pattern Anal. Mach. Intell. 26(10), 1367 (2004)","journal-title":"IEEE Trans. Pattern Anal. Mach. Intell."},{"key":"4_CR8","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1351\/pac197645010011","volume":"45","author":"LC Cross","year":"1976","unstructured":"Cross, L.C., Klyne, W.: Rules for the nomenclature of organic chemistry: section E: stereochemistry. Pure Appl. Chem. 45, 11\u201330 (1976)","journal-title":"Pure Appl. Chem."},{"key":"4_CR9","volume-title":"Fundamentals of Algebraic Graph Transformation","author":"H Ehrig","year":"2006","unstructured":"Ehrig, H., Ehrig, K., Prange, U., Taenthzer, G.: Fundamentals of Algebraic Graph Transformation. Springer, Berlin (2006)"},{"key":"4_CR10","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1007\/11841883_9","volume-title":"Graph Transformations","author":"K Ehrig","year":"2006","unstructured":"Ehrig, K., Heckel, R., Lajios, G.: Molecular analysis of metabolic pathway with graph transformation. In: Corradini, A., Ehrig, H., Montanari, U., Ribeiro, L., Rozenberg, G. (eds.) ICGT 2006. LNCS, vol. 4178, pp. 107\u2013121. Springer, Heidelberg (2006). doi:10.1007\/11841883_9"},{"key":"4_CR11","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1002\/0471720895.ch3","volume-title":"Enumerating Molecules, Reviews in Computational Chemistry","author":"JL Faulon","year":"2005","unstructured":"Faulon, J.L., Visco Jr., D., Roe, D.: Enumerating Molecules, Reviews in Computational Chemistry, vol. 21, pp. 209\u2013286. Wiley, Hoboken (2005)"},{"key":"4_CR12","doi-asserted-by":"publisher","first-page":"371","DOI":"10.1107\/S0108767309024088","volume":"65","author":"HD Flack","year":"2009","unstructured":"Flack, H.D.: Louis Pasteur\u2019s discovery of molecular chirality and spontaneous resolution in 1848, together with a complete review of his crystallographic and chemical work. Acta Crystallogr. Sect. A 65, 371\u2013389 (2009)","journal-title":"Acta Crystallogr. Sect. A"},{"key":"4_CR13","first-page":"1","volume":"56","author":"W Fontana","year":"1994","unstructured":"Fontana, W., Buss, L.W.: \u201cThe arrival of the fittest\u201d: toward a theory of biological organization. Bull. Math. Biol. 56, 1\u201364 (1994)","journal-title":"Bull. Math. Biol."},{"key":"4_CR14","doi-asserted-by":"publisher","first-page":"757","DOI":"10.1073\/pnas.91.2.757","volume":"91","author":"W Fontana","year":"1994","unstructured":"Fontana, W., Buss, L.W.: What would be conserved \u201cif the tape were played twice\u201d. Proc. Natl. Acad. Sci. USA 91, 757\u2013761 (1994)","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"4_CR15","doi-asserted-by":"publisher","first-page":"1315","DOI":"10.1016\/j.ccr.2007.07.007","volume":"252","author":"R Gillespie","year":"2008","unstructured":"Gillespie, R.: Fifty years of the VSEPR model. Coord. Chem. Rev. 252, 1315\u20131327 (2008)","journal-title":"Coord. Chem. Rev."},{"key":"4_CR16","doi-asserted-by":"crossref","unstructured":"Kerber, A., Laue, R., Meringer, M., R\u00fccker, C., Schymanski, E.: Mathematical Chemistry and Chemoinformatics. De Gruyter (2013)","DOI":"10.1515\/9783110254075"},{"issue":"2","key":"4_CR17","doi-asserted-by":"publisher","first-page":"961","DOI":"10.1007\/s11047-010-9245-6","volume":"10","author":"HJ Kreowski","year":"2011","unstructured":"Kreowski, H.J., Kuske, S.: Graph multiset transformation: a new framework for massively parallel computation inspired by DNA computing. Nat. Comput. 10(2), 961\u2013986 (2011)","journal-title":"Nat. Comput."},{"issue":"3","key":"4_CR18","doi-asserted-by":"publisher","first-page":"139","DOI":"10.1016\/j.tcs.2007.02.001","volume":"376","author":"J de Lara","year":"2007","unstructured":"de Lara, J., Bardohl, R., Ehrig, H., Ehrig, K., Prange, U., Taentzer, G.: Attributed graph transformation with node type inheritance. Theor. Comput. Sci. 376(3), 139\u2013163 (2007). http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0304397507000631","journal-title":"Theor. Comput. Sci."},{"key":"4_CR19","doi-asserted-by":"publisher","first-page":"762","DOI":"10.1021\/ja02261a002","volume":"38","author":"GN Lewis","year":"1916","unstructured":"Lewis, G.N.: The atom and the molecule. J. Am. Chem. Soc. 38, 762\u2013785 (1916)","journal-title":"J. Am. Chem. Soc."},{"key":"4_CR20","doi-asserted-by":"publisher","first-page":"154","DOI":"10.1021\/c160026a008","volume":"7","author":"AE Petrarca","year":"1967","unstructured":"Petrarca, A.E., Lynch, M.F., Rush, J.E.: A method for generating unique computer structural representation of stereoisomers. J. Chem. Doc. 7, 154\u2013165 (1967)","journal-title":"J. Chem. Doc."},{"issue":"1","key":"4_CR21","doi-asserted-by":"publisher","first-page":"145","DOI":"10.1007\/BF02546665","volume":"68","author":"G P\u00f3lya","year":"1937","unstructured":"P\u00f3lya, G.: Kombinatorische Anzahlbestimmungen f\u00fcr Gruppen, Graphen und chemische Verbindungen. Acta Mathematica 68(1), 145\u2013254 (1937)","journal-title":"Acta Mathematica"},{"key":"4_CR22","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4612-4664-0","volume-title":"Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds","author":"G P\u00f3lya","year":"1987","unstructured":"P\u00f3lya, G., Read, R.: Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer, New York (1987)"},{"issue":"3","key":"4_CR23","doi-asserted-by":"publisher","first-page":"433","DOI":"10.2307\/2370675","volume":"49","author":"J Redfield","year":"1927","unstructured":"Redfield, J.: The theory of group-reduced distributions. Am. J. Math. 49(3), 433\u2013455 (1927)","journal-title":"Am. J. Math."},{"key":"4_CR24","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"116","DOI":"10.1007\/978-3-540-31847-7_7","volume-title":"Formal Methods in Software and Systems Modeling","author":"F Rossell\u00f3","year":"2005","unstructured":"Rossell\u00f3, F., Valiente, G.: Graph transformation in molecular biology. In: Kreowski, H.-J., Montanari, U., Orejas, F., Rozenberg, G., Taentzer, G. (eds.) Formal Methods in Software and Systems Modeling. LNCS, vol. 3393, pp. 116\u2013133. Springer, Heidelberg (2005). doi:10.1007\/978-3-540-31847-7_7"},{"key":"4_CR25","doi-asserted-by":"publisher","first-page":"622","DOI":"10.1021\/ci990147d","volume":"40","author":"H Satoh","year":"2000","unstructured":"Satoh, H., Koshino, H., Funatsu, K., Nakata, T.: Novel canonical coding method for representation of three-dimensional structures. J. Chem. Inf. Comput. Sci. 40, 622\u2013630 (2000)","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"4_CR26","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"446","DOI":"10.1007\/978-3-540-25959-6_35","volume-title":"Applications of Graph Transformations with Industrial Relevance: Second International Workshop, AGTIVE 2003","author":"G Taentzer","year":"2004","unstructured":"Taentzer, G.: AGG: a graph transformation environment for modeling and validation of software. In: Pfaltz, J.L., Nagl, M., B\u00f6hlen, B. (eds.) Applications of Graph Transformations with Industrial Relevance: Second International Workshop, AGTIVE 2003. LNCS, vol. 3062, pp. 446\u2013453. Springer, Heidelberg (2004)"},{"key":"4_CR27","doi-asserted-by":"publisher","first-page":"31","DOI":"10.1021\/ci00057a005","volume":"28","author":"D Weininger","year":"1988","unstructured":"Weininger, D.: SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Model. 28, 31\u201336 (1988)","journal-title":"J. Chem. Inf. Model."},{"key":"4_CR28","doi-asserted-by":"publisher","first-page":"4825","DOI":"10.1021\/ja00822a020","volume":"96","author":"WT Wipke","year":"1974","unstructured":"Wipke, W.T., Dyott, T.M.: Simulation and evaluation of chemical synthesis-computer representation and manipulation of stereochemistry. J. Am. Chem. Soc. 96, 4825\u20134834 (1974)","journal-title":"J. Am. Chem. Soc."},{"key":"4_CR29","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"83","DOI":"10.1007\/978-3-540-30203-2_8","volume-title":"Graph Transformations","author":"MK Yadav","year":"2004","unstructured":"Yadav, M.K., Kelley, B.P., Silverman, S.M.: The potential of a chemical graph transformation system. In: Ehrig, H., Engels, G., Parisi-Presicce, F., Rozenberg, G. (eds.) ICGT 2004. LNCS, vol. 3256, pp. 83\u201395. Springer, Heidelberg (2004). doi:10.1007\/978-3-540-30203-2_8"}],"container-title":["Lecture Notes in Computer Science","Graph Transformation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-319-61470-0_4","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,3,13]],"date-time":"2024-03-13T10:51:19Z","timestamp":1710327079000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/978-3-319-61470-0_4"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017]]},"ISBN":["9783319614694","9783319614700"],"references-count":29,"URL":"https:\/\/doi.org\/10.1007\/978-3-319-61470-0_4","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2017]]},"assertion":[{"value":"21 June 2017","order":1,"name":"first_online","label":"First Online","group":{"name":"ChapterHistory","label":"Chapter History"}}]}}