{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,10]],"date-time":"2026-01-10T07:06:13Z","timestamp":1768028773426,"version":"3.49.0"},"reference-count":46,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2012,7,31]],"date-time":"2012-07-31T00:00:00Z","timestamp":1343692800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"published-print":{"date-parts":[[2012,12]]},"DOI":"10.1186\/1758-2946-4-13","type":"journal-article","created":{"date-parts":[[2012,7,31]],"date-time":"2012-07-31T16:14:14Z","timestamp":1343751254000},"source":"Crossref","is-referenced-by-count":34,"title":["Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2"],"prefix":"10.1186","volume":"4","author":[{"given":"Hans-Christian","family":"Ehrlich","sequence":"first","affiliation":[]},{"given":"Matthias","family":"Rarey","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2012,7,31]]},"reference":[{"key":"369_CR1","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"J Irwin","year":"2005","unstructured":"Irwin J, Shoichet B: ZINC\u2013a free database of commercially available compounds for virtual screening. J Chem Inf Model. 2005, 45: 177-182. 10.1021\/ci049714+.","journal-title":"J Chem Inf Model"},{"key":"369_CR2","doi-asserted-by":"publisher","first-page":"217","DOI":"10.1016\/S1574-1400(08)00012-1","volume-title":"Annual Reports in Computational Chemistry Volume 4, Volume 4 of, Annual Reports in Computational Chemistry","author":"EE Bolton","year":"2008","unstructured":"Bolton EE, Wang Y, Thiessen PA, Bryant SH: Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities. Annual Reports in Computational Chemistry Volume 4, Volume 4 of, Annual Reports in Computational Chemistry. Edited by: Wheeler RA, Spellmeyer DC. 2008, Elsevier, 217-241. [ http:\/\/www.sciencedirect.com\/science\/article\/pii\/S1574140008000121 ]"},{"key":"369_CR3","doi-asserted-by":"publisher","first-page":"36","DOI":"10.1021\/c160016a007","volume":"5","author":"EH Sussenguth","year":"1965","unstructured":"Sussenguth EH: A graph-theoretic algorithm for matching chemical Structures. J Chem Documentation. 1965, 5: 36-43. 10.1021\/c160016a007. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/c160016a007 ]","journal-title":"J Chem Documentation"},{"issue":"4","key":"369_CR4","doi-asserted-by":"publisher","first-page":"237","DOI":"10.1021\/c160047a010","volume":"12","author":"J Figueras","year":"1972","unstructured":"Figueras J: Substructure search by set reduction. J Chem Documentation. 1972, 12 (4): 237-244. 10.1021\/c160047a010. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/c160047a010 ]","journal-title":"J Chem Documentation"},{"issue":"4","key":"369_CR5","doi-asserted-by":"publisher","first-page":"339","DOI":"10.1002\/jgt.3190010410","volume":"1","author":"RC Read","year":"1977","unstructured":"Read RC, Corneil DG: The graph isomorphism disease. J Graph Theory. 1977, 1 (4): 339-363. 10.1002\/jgt.3190010410. [ http:\/\/dx.doi.org\/10.1002\/jgt.3190010410 ]","journal-title":"J Graph Theory"},{"issue":"2","key":"369_CR6","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1002\/jgt.3190030202","volume":"3","author":"G Gati","year":"1979","unstructured":"Gati G: Further annotated bibliography on the isomorphism disease. J Graph Theory. 1979, 3 (2): 95-109. 10.1002\/jgt.3190030202. [ http:\/\/dx.doi.org\/10.1002\/jgt.3190030202 ]","journal-title":"J Graph Theory"},{"key":"369_CR7","doi-asserted-by":"publisher","first-page":"31","DOI":"10.1145\/321921.321925","volume":"23","author":"JR Ullmann","year":"1976","unstructured":"Ullmann JR: An algorithm for subgraph isomorphism. J Assoc Comput Mach. 1976, 23: 31-42. 10.1145\/321921.321925.","journal-title":"J Assoc Comput Mach"},{"issue":"3","key":"369_CR8","doi-asserted-by":"publisher","first-page":"102","DOI":"10.1021\/ci00039a003","volume":"23","author":"R Attias","year":"1983","unstructured":"Attias R: DARC substructure search system: a new approach to chemical information. J Chem Inf Comput Sci. 1983, 23 (3): 102-108. 10.1021\/ci00039a003. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci00039a003 ]","journal-title":"J Chem Inf Comput Sci"},{"issue":"4","key":"369_CR9","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1177\/009286158201600406","volume":"16","author":"J Heyman","year":"1982","unstructured":"Heyman J, Karasinskia E, Giles P: CAS information services for medicinal chemists. Drug Inf J. 1982, 16 (4): 185-190.","journal-title":"Drug Inf J"},{"issue":"6","key":"369_CR10","doi-asserted-by":"publisher","first-page":"983","DOI":"10.1021\/ci9800211","volume":"38","author":"P Willett","year":"1998","unstructured":"Willett P, Barnard JM, Downs GM: Chemical similarity searching. J Chem Inf Model. 1998, 38 (6): 983-996. 10.1021\/ci9800211. [ http:\/\/dx.doi.org\/10.1021\/ci9800211 ]","journal-title":"J Chem Inf Model"},{"key":"369_CR11","doi-asserted-by":"crossref","first-page":"1172","DOI":"10.1109\/ICIAP.1999.797762","volume-title":"Image Analysis and Processing, 1999. Proceedings. International Conference on","author":"L Cordella","year":"1999","unstructured":"Cordella L, Foggia P, Sansone C, Vento M: Performance evaluation of the VF graph matching algorithm. Image Analysis and Processing, 1999. Proceedings. International Conference on. 1999, 1172-1177."},{"issue":"10","key":"369_CR12","doi-asserted-by":"publisher","first-page":"1367","DOI":"10.1109\/TPAMI.2004.75","volume":"26","author":"LP Cordella","year":"2004","unstructured":"Cordella LP, Foggia P, Sansone C, Vento M: A (sub)graph isomorphism algorithm for matching large graphs. IEEE Trans Pattern Anal Machine Intelligence. 2004, 26 (10): 1367-1372. 10.1109\/TPAMI.2004.75.","journal-title":"IEEE Trans Pattern Anal Machine Intelligence"},{"key":"369_CR13","doi-asserted-by":"publisher","first-page":"766","DOI":"10.1145\/1066157.1066244","volume-title":"Proceedings of the 2005 ACM SIGMOD international conference on, Management of data, SIGMOD \u201905","author":"X Yan","year":"2005","unstructured":"Yan X, Yu PS, Han J: Proceedings of the 2005 ACM SIGMOD international conference on, Management of data, SIGMOD \u201905. 2005, New York, NY, USA: ACM, 766-777. [ http:\/\/doi.acm.org\/10.1145\/1066157.1066244 ]"},{"key":"369_CR14","doi-asserted-by":"publisher","first-page":"22","DOI":"10.1021\/ci8003013","volume":"49","author":"A Golovin","year":"2009","unstructured":"Golovin A, Henrick K: Chemical substructure search in SQL. J Chem Inf Model. 2009, 49: 22-27. 10.1021\/ci8003013.","journal-title":"J Chem Inf Model"},{"issue":"2","key":"369_CR15","doi-asserted-by":"publisher","first-page":"225","DOI":"10.1021\/ci00002a008","volume":"31","author":"P Willett","year":"1991","unstructured":"Willett P, Wilson T, Reddaway SF: Atom-by-atom searching using massive parallelism. Implementation of the Ullmann subgraph isomorphism algorithm on the distributed array processor. J Chem Inf Comput Sci. 1991, 31 (2): 225-233. 10.1021\/ci00002a008. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci00002a008 ]","journal-title":"J Chem Inf Comput Sci"},{"key":"369_CR16","volume-title":"Efficient Graph Matching Algorithms","author":"BT Messmer","year":"1995","unstructured":"Messmer BT: Efficient Graph Matching Algorithms. 1995"},{"key":"369_CR17","first-page":"188","volume-title":"Proc of the 3rd IAPR TC-15 Workshop on Graph-based Representations in Pattern Recognition","author":"P Foggia","year":"2001","unstructured":"Foggia P, Sansone C, Vento M: A performance comparison of five algorithms for graph isomorphism. Proc of the 3rd IAPR TC-15 Workshop on Graph-based Representations in Pattern Recognition. 2001, 188-199."},{"issue":"4","key":"369_CR18","doi-asserted-by":"publisher","first-page":"152","DOI":"10.1021\/ci00056a002","volume":"27","author":"AT Brint","year":"1987","unstructured":"Brint AT, Willett P: Algorithms For the Identification of 3-dimensional Maximal Common Substructures. J Chem Inf Comput Sci. 1987, 27 (4): 152-158. 10.1021\/ci00056a002.","journal-title":"J Chem Inf Comput Sci"},{"issue":"3","key":"369_CR19","doi-asserted-by":"publisher","first-page":"207","DOI":"10.1016\/0898-5529(88)90026-7","volume":"1","author":"GM Downs","year":"1988","unstructured":"Downs GM, Lynch MF, Willett P, Manson GA, Wilson GA: Transputer implementations of chemical substructure searching algorithms. Tetrahedron Comput Methodology. 1988, 1 (3): 207-217. 10.1016\/0898-5529(88)90026-7. [ http:\/\/dx.doi.org\/10.1016\/0898-5529(88)90026-7 ]","journal-title":"Tetrahedron Comput Methodology"},{"issue":"4","key":"369_CR20","doi-asserted-by":"publisher","first-page":"532","DOI":"10.1021\/ci00014a001","volume":"33","author":"JM Barnard","year":"1993","unstructured":"Barnard JM: Substructure searching methods: old and new. J Chem Inf Comput Sci. 1993, 33 (4): 532-538. 10.1021\/ci00014a001. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci00014a001 ]","journal-title":"J Chem Inf Comput Sci"},{"key":"369_CR21","doi-asserted-by":"publisher","DOI":"10.1002\/3527603743","volume-title":"Chemoinformatics in drug discovery","author":"TI Oprea","year":"2005:","unstructured":"Oprea TI: Chemoinformatics in drug discovery. 2005:, Weinheim: Wiley-VCH, 76\u201379. chap. 4.4.2.1."},{"key":"369_CR22","doi-asserted-by":"publisher","first-page":"3113","DOI":"10.1021\/ci200413e","volume":"51","author":"DK Agrafiotis","year":"2011","unstructured":"Agrafiotis DK, Lobanov VS, Shemanarev M, Rassokhin DN, Izrailev S, Jaeger EP, Alex S, Farnum M: Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge. J Chem Inf Model. 2011, 51: 3113-3130. 10.1021\/ci200413e. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci200413e ]","journal-title":"J Chem Inf Model"},{"key":"369_CR23","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/0004-3702(89)90077-5","volume":"41","author":"B Falkenhainer","year":"1989","unstructured":"Falkenhainer B, Forbus KD, Gentner D: The structure-mapping engine: algorithm and examples. Artif Intelligence. 1989, 41: 1-63. 10.1016\/0004-3702(89)90077-5.","journal-title":"Artif Intelligence"},{"key":"369_CR24","doi-asserted-by":"publisher","DOI":"10.1021\/bk-1977-0046.ch001","volume-title":"Graph Algorithms in Chemical Computation","author":"RE Tarjan","year":"1977:","unstructured":"Tarjan RE: Graph Algorithms in Chemical Computation. 1977:, American Chemical Society, 1\u201320. chap. 2. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/bk-1977-0046.ch001 ]"},{"key":"369_CR25","unstructured":"Daylight Theory Manual, Daylight Chemical Information Systems Inc. 2011"},{"key":"369_CR26","doi-asserted-by":"publisher","first-page":"71","DOI":"10.1021\/ci960109j","volume":"37","author":"S Ash","year":"1997","unstructured":"Ash S, Cline MA, Homer RW, Hurst T, Smith GB: SYBYL line notation (SLN): A versatile language for chemical structure representation. J Chem Inf Comput Sci. 1997, 37: 71-79. 10.1021\/ci960109j.","journal-title":"J Chem Inf Comput Sci"},{"issue":"4042","key":"369_CR27","doi-asserted-by":"publisher","first-page":"1437","DOI":"10.1126\/science.176.4042.1437","volume":"176","author":"DA Koniver","year":"1972","unstructured":"Koniver DA, Wiswesser WJ, Usdin E: Wiswesser line notation: simplified techniques for converting chemical structures to WLN. Science. 1972, 176 (4042): 1437-1439. 10.1126\/science.176.4042.1437. [ http:\/\/dx.doi.org\/10.1126\/science.176.4042.1437 ]","journal-title":"Science"},{"issue":"5","key":"369_CR28","doi-asserted-by":"publisher","first-page":"897","DOI":"10.1021\/ci990423o","volume":"39","author":"M Hann","year":"1999","unstructured":"Hann M, Hudson B, Lewell X, Lifely R, Miller L, Ramsden N: Strategic pooling of compounds for high-throughput screening. J Chem Inf Comput Sci. 1999, 39 (5): 897-902. 10.1021\/ci990423o. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci990423o ]","journal-title":"J Chem Inf Comput Sci"},{"issue":"3","key":"369_CR29","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1016\/S0169-409X(02)00003-0","volume":"54","author":"W Walters","year":"2002","unstructured":"Walters W, Murcko MA: Prediction of \u2018drug-likeness\u2019. Adv Drug Delivery Rev. 2002, 54 (3): 255-271. 10.1016\/S0169-409X(02)00003-0. [ http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0169409X02000030 ]. [Computational Methods for the Prediction of ADME and Toxicity]","journal-title":"Adv Drug Delivery Rev"},{"key":"369_CR30","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1007\/s00894-003-0126-0","volume":"9","author":"SFB Abolmaali","year":"2003","unstructured":"Abolmaali SFB, Wegner JK, Zell A: The compressed feature matrix - a fast method for feature based substructure search. J Mol Model. 2003, 9: 235-241. 10.1007\/s00894-003-0126-0. [ http:\/\/dx.doi.org\/10.1007\/s00894-003-0126-0 ]. [10.1007\/s00894-003-0126-0]","journal-title":"J Mol Model"},{"key":"369_CR31","doi-asserted-by":"publisher","first-page":"437","DOI":"10.1007\/s10822-004-4060-8","volume":"18","author":"M Olah","year":"2004","unstructured":"Olah M, Bologa C, Oprea TI: An automated PLS search for biologically relevant QSAR descriptors. J Comput Aided Mol Des. 2004, 18: 437-449. 10.1007\/s10822-004-4060-8. [ http:\/\/dx.doi.org\/10.1007\/s10822-004-4060-8 ]. [10.1007\/s10822-004-4060-8]","journal-title":"J Comput Aided Mol Des"},{"issue":"2","key":"369_CR32","doi-asserted-by":"publisher","first-page":"390","DOI":"10.1021\/ci060094h","volume":"47","author":"P Maass","year":"2007","unstructured":"Maass P, Schulz-Gasch T, Stahl M, Rarey M: Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformations. J Chem Inf Model. 2007, 47 (2): 390-399. 10.1021\/ci060094h. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci060094h ]. [PMID: 17305328]","journal-title":"J Chem Inf Model"},{"key":"369_CR33","doi-asserted-by":"publisher","first-page":"1503","DOI":"10.1002\/cmdc.200800178","volume":"3","author":"J Degen","year":"2008","unstructured":"Degen J, Wegscheid-Gerlach C, Zaliani A, Rarey M: On the art of compiling and using \u2018drug-like\u2019 chemical fragment spaces. Chem Med Chem. 2008, 3: 1503-1507.","journal-title":"Chem Med Chem"},{"key":"369_CR34","doi-asserted-by":"publisher","first-page":"487","DOI":"10.1021\/ci900512g","volume":"50","author":"HEA Ahmed","year":"2010","unstructured":"Ahmed HEA, Vogt M, Bajorath J: Design and evaluation of bonded atom pair descriptors. J Chem Inf Model. 2010, 50: 487-499. 10.1021\/ci900512g.","journal-title":"J Chem Inf Model"},{"key":"369_CR35","unstructured":"Daylight SMARTS examples; Daylight Chemical Information Systems, Inc. http:\/\/www.daylight.com\/dayhtml_tutorials\/languages\/smarts\/smarts_examples.html ,"},{"issue":"3","key":"369_CR36","doi-asserted-by":"publisher","first-page":"1067","DOI":"10.1021\/ci6005454","volume":"47","author":"DK Agrafiotis","year":"2007","unstructured":"Agrafiotis DK, Gibbs AC, Zhu F, Izrailev S, Martin E: Conformational sampling of bioactive molecules: a comparative study. J Chem Inf Model. 2007, 47 (3): 1067-1086. 10.1021\/ci6005454. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci6005454 ]. [PMID: 17411028]","journal-title":"J Chem Inf Model"},{"issue":"5-6","key":"369_CR37","doi-asserted-by":"publisher","first-page":"555","DOI":"10.1080\/10629360802348985","volume":"19","author":"SJ Enoch","year":"2008","unstructured":"Enoch SJ, Madden JC, Cronin MTD: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach. SAR QSAR Environ Res. 2008, 19 (5-6): 555-578. 10.1080\/10629360802348985. [ http:\/\/dx.doi.org\/10.1080\/10629360802348985 ]","journal-title":"SAR QSAR Environ Res"},{"issue":"7","key":"369_CR38","doi-asserted-by":"publisher","first-page":"2719","DOI":"10.1021\/jm901137j","volume":"53","author":"JB Baell","year":"2010","unstructured":"Baell JB, Holloway GA: New substructure filters for removal of Pan Assay Interference Compounds (PAINS) from screening libraries and for their exclusion in Bioassays. J Med Chem. 2010, 53 (7): 2719-2740. 10.1021\/jm901137j. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jm901137j ]. [PMID: 20131845]","journal-title":"J Med Chem"},{"key":"369_CR39","doi-asserted-by":"publisher","first-page":"109","DOI":"10.1021\/ci00017a013","volume":"34","author":"WD Ihlenfeldt","year":"1994","unstructured":"Ihlenfeldt WD, Takahashi Y, Abe H, ichi Sasaki S: Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility. J Chem Inf Comput Sci. 1994, 34: 109-116. 10.1021\/ci00017a013.","journal-title":"J Chem Inf Comput Sci"},{"key":"369_CR40","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1021\/ci950061u","volume":"36","author":"J Xu","year":"1996","unstructured":"Xu J: GMA: a generic match algorithm for structural homomorphism, isomorphism, and maximal common substructure match and its applications. J Chem Inf Comput Sci. 1996, 36: 25-34. 10.1021\/ci950061u. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci950061u ]","journal-title":"J Chem Inf Comput Sci"},{"key":"369_CR41","doi-asserted-by":"publisher","DOI":"10.1002\/3527601643","volume-title":"Chemoinformatics: A Textbook","author":"J Gasteiger","year":"2003","unstructured":"Gasteiger J, Engel, T (Eds): Chemoinformatics: A Textbook. 2003, Wiley-VCH, [ http:\/\/www.worldcat.org\/isbn\/3527306811 ], 1 edition","edition":"1 edition"},{"issue":"9","key":"369_CR42","doi-asserted-by":"publisher","first-page":"1529","DOI":"10.1021\/ci100209a","volume":"50","author":"K Schomburg","year":"2010","unstructured":"Schomburg K, Ehrlich HC, Stierand K, Rarey M: From structure diagrams to visual chemical patterns. J Chem Inf Model. 2010, 50 (9): 1529-1535. 10.1021\/ci100209a. [ http:\/\/dx.doi.org\/10.1021\/ci100209a ]","journal-title":"J Chem Inf Model"},{"issue":"4","key":"369_CR43","doi-asserted-by":"publisher","first-page":"688","DOI":"10.1021\/ci960378+","volume":"37","author":"K Ozawa","year":"1997","unstructured":"Ozawa K, Yasuda T, Fujita S: Substructure search with tree-structured data. J Chem Inf Comput Sci. 1997, 37 (4): 688-695. 10.1021\/ci960378+. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci960378%2B ]","journal-title":"J Chem Inf Comput Sci"},{"issue":"3","key":"369_CR44","doi-asserted-by":"publisher","first-page":"713","DOI":"10.1021\/ci000394d","volume":"41","author":"SDDV Rughooputh","year":"2001","unstructured":"Rughooputh SDDV, Rughooputh HCS: Neural network based chemical structure indexing. J Chem Inf Comput Sci. 2001, 41 (3): 713-717. 10.1021\/ci000394d. [ http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ci000394d ]","journal-title":"J Chem Inf Comput Sci"},{"issue":"3","key":"369_CR45","doi-asserted-by":"publisher","first-page":"220","DOI":"10.1038\/nrd745","volume":"1","author":"MA Miller","year":"2002","unstructured":"Miller MA: Chemical database techniques in drug discovery. Nat Rev Drug Discov. 2002, 1 (3): 220-227. 10.1038\/nrd745. [ http:\/\/dx.doi.org\/10.1038\/nrd745 ]","journal-title":"Nat Rev Drug Discov"},{"issue":"8","key":"369_CR46","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1002\/minf.201100028","volume":"30","author":"N Jeliazkova","year":"2011","unstructured":"Jeliazkova N, Kochev N: AMBIT-SMARTS: efficient searching of chemical structures and fragments. Mol Informatics. 2011, 30 (8): 707-720. [ http:\/\/dx.doi.org\/10.1002\/minf.201100028 ]","journal-title":"Mol Informatics"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-4-13.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1186\/1758-2946-4-13\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-4-13.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,7,12]],"date-time":"2020-07-12T04:26:46Z","timestamp":1594528006000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-4-13"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,7,31]]},"references-count":46,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2012,12]]}},"alternative-id":["369"],"URL":"https:\/\/doi.org\/10.1186\/1758-2946-4-13","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,7,31]]},"article-number":"13"}}