{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,11]],"date-time":"2025-11-11T12:55:23Z","timestamp":1762865723083},"reference-count":39,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2010,8,20]],"date-time":"2010-08-20T00:00:00Z","timestamp":1282262400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"published-print":{"date-parts":[[2010,12]]},"DOI":"10.1186\/1758-2946-2-6","type":"journal-article","created":{"date-parts":[[2010,8,20]],"date-time":"2010-08-20T18:15:31Z","timestamp":1282328131000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":25,"title":["WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications"],"prefix":"10.1186","volume":"2","author":[{"given":"Qian","family":"Zhu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael S","family":"Lajiness","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ying","family":"Ding","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David J","family":"Wild","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2010,8,20]]},"reference":[{"issue":"12","key":"28_CR1","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1021\/cen-v082n012.p019","volume":"82","author":"R Mullin","year":"2004","unstructured":"Mullin R: Dealing with Data Overload. Chemical & Engineering News. 2004, 82 (12): 19-24.","journal-title":"Chemical & Engineering News"},{"key":"28_CR2","unstructured":"PubChem. [http:\/\/pubchem.ncbi.nlm.nih.gov\/search\/search.cgi]"},{"key":"28_CR3","unstructured":"Chemspider. [http:\/\/www.chemspider.com\/]"},{"key":"28_CR4","unstructured":"PDB. [http:\/\/www.rcsb.org\/pdb\/home\/home.do]"},{"key":"28_CR5","unstructured":"KEGG. [http:\/\/www.genome.jp\/kegg\/]"},{"issue":"5","key":"28_CR6","doi-asserted-by":"publisher","first-page":"706","DOI":"10.1016\/j.jbi.2008.03.004","volume":"41","author":"F Belleau","year":"2008","unstructured":"Belleau F, Nolin MA, Tourigny N, Rigault P, Morissette J: Bio2RDF: towards a mashup to build bioinformatics knowledge systems. J Biomed Inform. 2008, 41 (5): 706-716. 10.1016\/j.jbi.2008.03.004.","journal-title":"J Biomed Inform"},{"key":"28_CR7","unstructured":"Linking Open Drug Data. [http:\/\/esw.w3.org\/topic\/HCLSIG\/LODD]"},{"key":"28_CR8","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/1758-2946-1-1","volume":"1","author":"DJ Wild","year":"2009","unstructured":"Wild DJ: Grand Challenges for Cheminformatics. J Cheminf. 2009, 1: 1-10.1186\/1758-2946-1-1.","journal-title":"J Cheminf"},{"key":"28_CR9","unstructured":"Cyberinfrastructure. [http:\/\/en.wikipedia.org\/wiki\/Cyberinfrastructure]"},{"issue":"4","key":"28_CR10","doi-asserted-by":"publisher","first-page":"1303","DOI":"10.1021\/ci6004349","volume":"47","author":"X Dong","year":"2007","unstructured":"Dong X, Gilbert KE, Guha R, Heiland R, Kim J, Pierce ME, Fox GC, Wild DJ: Web service infrastructure for chemoinformatics. J Chem Info Model. 2007, 47 (4): 1303-1307. 10.1021\/ci6004349.","journal-title":"J Chem Info Model"},{"key":"28_CR11","doi-asserted-by":"publisher","first-page":"11","DOI":"10.1186\/1752-153X-2-11","volume":"2","author":"J Hur","year":"2008","unstructured":"Hur J, Wild DJ: PubChemSR: A search and retrieval tool for PubChem. Chemistry Central Journal. 2008, 2: 11-10.1186\/1752-153X-2-11.","journal-title":"Chemistry Central Journal"},{"key":"28_CR12","doi-asserted-by":"publisher","first-page":"487","DOI":"10.1186\/1471-2105-8-487","volume":"8","author":"E Willighagen","year":"2007","unstructured":"Willighagen E, O'Boyle NM, Gopalakrishnan H, Jiao D, Guha R, Steinbeck C, Wild DJ: Userscripts for the Life Sciences. BMC Bioinformatics. 2007, 8: 487-10.1186\/1471-2105-8-487.","journal-title":"BMC Bioinformatics"},{"issue":"6","key":"28_CR13","doi-asserted-by":"publisher","first-page":"2063","DOI":"10.1021\/ci700141x","volume":"47","author":"H Wang","year":"2007","unstructured":"Wang H, Klinginsmith J, Dong X, Lee AC, Guha R, Wu Y, Crippen GM, Wild DJ: Chemical Data Mining of the NCI Human Tumor Cell Line Database. J Chem Info Model. 2007, 47 (6): 2063-2076. 10.1021\/ci700141x.","journal-title":"J Chem Info Model"},{"key":"28_CR14","volume-title":"Computer Applications in Pharmaceutical Research and Development","author":"DJ Wild","year":"2006","unstructured":"Wild DJ: Strategies for Using Information Effectively in Early-stage Drug Discovery. Computer Applications in Pharmaceutical Research and Development. Edited by: Ekins S. 2006, Wiley-Interscience, Hoboken"},{"key":"28_CR15","first-page":"652","volume-title":"Proceedings of the 4th IEEE conference on eScience","author":"X Dong","year":"2008","unstructured":"Dong X, Wild DJ: An Automatic Drug Discovery Workflow Generation Tool using Sematic Web Technologies. Proceedings of the 4th IEEE conference on eScience. 2008, 652-657. full_text."},{"key":"28_CR16","unstructured":"Simple Object Access Protocol (SOAP). [http:\/\/en.wikipedia.org\/wiki\/SOAP]"},{"key":"28_CR17","unstructured":"Representational State Transfer (REST). [http:\/\/en.wikipedia.org\/wiki\/Representational_State_Transfer]"},{"key":"28_CR18","unstructured":"smi23d: Generation of a 3D structure from a SMILES string, using the smi23d program. [http:\/\/chembiogrid.org\/projects\/proj_ws_all.html]"},{"key":"28_CR19","doi-asserted-by":"publisher","first-page":"1711","DOI":"10.1002\/jcc.20681","volume":"28","author":"PJ Ballester","year":"2007","unstructured":"Ballester PJ, Richards WG: Ultrafast Shape Recognition to Search Compound Databases for Similar Molecular Shapes. J Comp Chem. 2007, 28: 1711-1723. 10.1002\/jcc.20681.","journal-title":"J Comp Chem"},{"key":"28_CR20","unstructured":"AXIS libraries. [http:\/\/ws.apache.org\/axis]"},{"key":"28_CR21","unstructured":"WebSerVices Description Language (WSDL). [http:\/\/www.w3.org\/TR\/wsdl]"},{"key":"28_CR22","unstructured":"chembiogrid web services list. [http:\/\/www.chembiogrid.org\/projects\/proj_ws_all.html]"},{"key":"28_CR23","unstructured":"gNova Scientific Software. [http:\/\/www.gnova.com]"},{"issue":"6","key":"28_CR24","doi-asserted-by":"publisher","first-page":"1273","DOI":"10.1021\/ci010132r","volume":"42","author":"JL Durant","year":"2002","unstructured":"Durant JL, Leland BA, Henry DR, Nourse JG: Reoptimization of MDL Keys for Use in Drug Discovery. J Chem Inf Comput Sci. 2002, 42 (6): 1273-1280.","journal-title":"J Chem Inf Comput Sci"},{"key":"28_CR25","unstructured":"Drugbank. [http:\/\/www.drugbank.ca]"},{"key":"28_CR26","unstructured":"MRTD. [http:\/\/www.fda.gov\/aboutfda\/centersoffices\/cder\/ucm092199.htm]"},{"key":"28_CR27","unstructured":"Medline. [http:\/\/www.nlm.nih.gov\/bsd\/licensee\/2009_stats\/baseline_med_filecount.html]"},{"key":"28_CR28","unstructured":"OSCAR3 (Open Source Chemistry Analysis Routines). [http:\/\/sourceforge.net\/projects\/oscar3-chem\/]"},{"key":"28_CR29","unstructured":"PhenoPred. [http:\/\/www.phenopred.ort]"},{"key":"28_CR30","unstructured":"Comparative Toxicogen omics Database (CTD). [http:\/\/ctd.mdibl.org]"},{"key":"28_CR31","unstructured":"HuGEpedia. [http:\/\/hugenavigator.net\/]"},{"key":"28_CR32","unstructured":"ChEMBL. [http:\/\/www.ebi.ac.uk\/chembldb\/]"},{"key":"28_CR33","doi-asserted-by":"publisher","first-page":"302","DOI":"10.1021\/ci600358f","volume":"47","author":"SJ Swamidass","year":"2007","unstructured":"Swamidass SJ, Baldi P: Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time. J Chem Inf Model. 2007, 47: 302-317. 10.1021\/ci600358f.","journal-title":"J Chem Inf Model"},{"key":"28_CR34","unstructured":"PostgreSQL CUBE data type. [http:\/\/www.postgresql.org\/docs\/8.3\/static\/cube.html]"},{"key":"28_CR35","unstructured":"Toxic Hazard Estimation. [http:\/\/ecb.jrc.ec.europa.eu\/qsar\/qsar-tools\/index.php?c=TOXTREE]"},{"key":"28_CR36","unstructured":"JME Molecular Editor. [http:\/\/www.molinspiration.com\/jme\/]"},{"key":"28_CR37","volume-title":"Concepts and Applications of Molecular Similarity","author":"MA Johnson","year":"1990","unstructured":"Johnson MA, Maggiora GM: Concepts and Applications of Molecular Similarity. 1990, John Wiley & Sons: New York"},{"key":"28_CR38","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1016\/S0015-6264(76)80522-6","volume":"16","author":"GM Cramer","year":"1978","unstructured":"Cramer GM, Ford RA, Hall RL: Estimation of Toxic Hazard - A Decision Tree Approach. J Cosmet Toxicol. 1978, 16: 255-276. 10.1016\/S0015-6264(76)80522-6.","journal-title":"J Cosmet Toxicol"},{"key":"28_CR39","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1186\/1471-2105-11-255","volume":"11","author":"B Chen","year":"2010","unstructured":"Chen B, Dong X, Jiao D, Wang H, Zhu Q, Ding Y, Wild DJ: Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data. BMC Bioinformatics. 2010, 11: 255-10.1186\/1471-2105-11-255.","journal-title":"BMC Bioinformatics"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-2-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1186\/1758-2946-2-6\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-2-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T11:27:56Z","timestamp":1630495676000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-2-6"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,8,20]]},"references-count":39,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2010,12]]}},"alternative-id":["28"],"URL":"https:\/\/doi.org\/10.1186\/1758-2946-2-6","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,8,20]]},"assertion":[{"value":"22 June 2010","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 August 2010","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 August 2010","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}],"article-number":"6"}}