{"_id":"jCf5QSd8XZADDhv4H","bibbaseid":"steinbeck-hoppe-kuhn-floris-guha-willighagen-recentdevelopmentsofthechemistrydevelopmentkitcdkanopensourcejavalibraryforchemoandbioinformatics-2006","downloads":0,"creationDate":"2016-02-18T13:03:38.118Z","title":"Recent developments of the Chemistry Development Kit (CDK) - an open-source Java library for chemo- and bioinformatics.","author_short":["Steinbeck, C.","Hoppe, C.","Kuhn, S.","Floris, M.","Guha, R.","Willighagen, E. L"],"year":2006,"bibtype":"article","biburl":"https://git.bio.informatik.uni-jena.de/fleisch/literature/raw/master/group-literature.bib","bibdata":{"bibtype":"article","type":"article","author":[{"firstnames":["Christoph"],"propositions":[],"lastnames":["Steinbeck"],"suffixes":[]},{"firstnames":["Christian"],"propositions":[],"lastnames":["Hoppe"],"suffixes":[]},{"firstnames":["Stefan"],"propositions":[],"lastnames":["Kuhn"],"suffixes":[]},{"firstnames":["Matteo"],"propositions":[],"lastnames":["Floris"],"suffixes":[]},{"firstnames":["Rajarshi"],"propositions":[],"lastnames":["Guha"],"suffixes":[]},{"firstnames":["Egon","L"],"propositions":[],"lastnames":["Willighagen"],"suffixes":[]}],"title":"Recent developments of the Chemistry Development Kit (CDK) - an open-source Java library for chemo- and bioinformatics.","journal":"Curr Pharm Des","year":"2006","volume":"12","number":"17","pages":"2111–2120","abstract":"The Chemistry Development Kit (CDK) provides methods for common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Implemented in Java, it is used both for server-side computational services, possibly equipped with a web interface, as well as for applications and client-side applets. This article introduces the CDK's new QSAR capabilities and the recently introduced interface to statistical software.","keywords":"metabolite ms","owner":"rasche","pmid":"16796559","timestamp":"2011.09.19","bibtex":"@Article{steinbeck06recent,\n author = {Christoph Steinbeck and Christian Hoppe and Stefan Kuhn and Matteo Floris and Rajarshi Guha and Egon L Willighagen},\n title = {Recent developments of the {Chemistry Development Kit ({CD}K)} - an open-source {Java} library for chemo- and bioinformatics.},\n journal = {Curr Pharm Des},\n year = {2006},\n volume = {12},\n number = {17},\n pages = {2111--2120},\n abstract = {The Chemistry Development Kit (CDK) provides methods for common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Implemented in Java, it is used both for server-side computational services, possibly equipped with a web interface, as well as for applications and client-side applets. This article introduces the CDK's new QSAR capabilities and the recently introduced interface to statistical software.},\n keywords = {metabolite ms},\n owner = {rasche},\n pmid = {16796559},\n timestamp = {2011.09.19},\n}\n\n","author_short":["Steinbeck, C.","Hoppe, C.","Kuhn, S.","Floris, M.","Guha, R.","Willighagen, E. L"],"key":"steinbeck06recent","id":"steinbeck06recent","bibbaseid":"steinbeck-hoppe-kuhn-floris-guha-willighagen-recentdevelopmentsofthechemistrydevelopmentkitcdkanopensourcejavalibraryforchemoandbioinformatics-2006","role":"author","urls":{},"keyword":["metabolite ms"],"metadata":{"authorlinks":{}}},"search_terms":["recent","developments","chemistry","development","kit","cdk","open","source","java","library","chemo","bioinformatics","steinbeck","hoppe","kuhn","floris","guha","willighagen"],"keywords":["metabolite ms"],"authorIDs":[],"dataSources":["C5FtkvWWggFfMJTFX"]}