callback( { "result":{ "query":":facetid:toc:\"db/journals/jcheminf/jcheminf3.bht\"", "status":{ "@code":"200", "text":"OK" }, "time":{ "@unit":"msecs", "text":"191.31" }, "completions":{ "@total":"1", "@computed":"1", "@sent":"1", "c":{ "@sc":"54", "@dc":"54", "@oc":"54", "@id":"43465982", "text":":facetid:toc:db/journals/jcheminf/jcheminf3.bht" } }, "hits":{ "@total":"54", "@computed":"54", "@sent":"30", "@first":"0", "hit":[{ "@score":"1", "@id":"4582376", "info":{"authors":{"author":[{"@pid":"123/8433","text":"Sam E. Adams"},{"@pid":"77/11082","text":"Pablo de Castro"},{"@pid":"74/2738","text":"Pablo Echenique"},{"@pid":"60/3550","text":"Jorge Estrada"},{"@pid":"123/8488","text":"Marcus D. Hanwell"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"},{"@pid":"08/5524","text":"Paul Sherwood"},{"@pid":"123/8452","text":"Jens Thomas"},{"@pid":"42/6464","text":"Joe Townsend"}]},"title":"The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.","venue":"J. Cheminformatics","volume":"3","pages":"38","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/AdamsCEEHMSTT11","doi":"10.1186/1758-2946-3-38","ee":"https://doi.org/10.1186/1758-2946-3-38","url":"https://dblp.org/rec/journals/jcheminf/AdamsCEEHMSTT11"}, "url":"URL#4582376" }, { "@score":"1", "@id":"4582379", "info":{"authors":{"author":[{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"92/6289-39","text":"Jie Chen 0039"},{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"15/7106","text":"Lianyi Han"},{"@pid":"59/2996","text":"Siqian He"},{"@pid":"42/9420","text":"Wenyao Shi"},{"@pid":"71/937","text":"Vahan Simonyan"},{"@pid":"181/2323","text":"Yan Sun"},{"@pid":"50/4118","text":"Paul A. Thiessen"},{"@pid":"06/7239","text":"Jiyao Wang"},{"@pid":"75/2868-16","text":"Bo Yu 0016"},{"@pid":"07/314-38","text":"Jian Zhang 0038"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: a new resource for scientists.","venue":"J. Cheminformatics","volume":"3","pages":"32","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BoltonCKHHSSSTWYZB11","doi":"10.1186/1758-2946-3-32","ee":"https://doi.org/10.1186/1758-2946-3-32","url":"https://dblp.org/rec/journals/jcheminf/BoltonCKHHSSSTWYZB11"}, "url":"URL#4582379" }, { "@score":"1", "@id":"4582380", "info":{"authors":{"author":[{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: Conformer generation.","venue":"J. Cheminformatics","volume":"3","pages":"4","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BoltonKB11","doi":"10.1186/1758-2946-3-4","ee":"https://doi.org/10.1186/1758-2946-3-4","url":"https://dblp.org/rec/journals/jcheminf/BoltonKB11"}, "url":"URL#4582380" }, { "@score":"1", "@id":"4582381", "info":{"authors":{"author":[{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: Diversity of shape.","venue":"J. Cheminformatics","volume":"3","pages":"9","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BoltonKB11a","doi":"10.1186/1758-2946-3-9","ee":"https://doi.org/10.1186/1758-2946-3-9","url":"https://dblp.org/rec/journals/jcheminf/BoltonKB11a"}, "url":"URL#4582381" }, { "@score":"1", "@id":"4582382", "info":{"authors":{"author":[{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: Similar conformers.","venue":"J. Cheminformatics","volume":"3","pages":"13","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BoltonKB11b","doi":"10.1186/1758-2946-3-13","ee":"https://doi.org/10.1186/1758-2946-3-13","url":"https://dblp.org/rec/journals/jcheminf/BoltonKB11b"}, "url":"URL#4582382" }, { "@score":"1", "@id":"4582384", "info":{"authors":{"author":[{"@pid":"28/2131","text":"Brian Brooks"},{"@pid":"123/8607","text":"Adam L. Thorn"},{"@pid":"88/5808-3","text":"Matthew Smith 0003"},{"@pid":"05/3441","text":"Peter Matthews"},{"@pid":"92/7761","text":"Shaoming Chen"},{"@pid":"10/11084","text":"Ben O'Steen"},{"@pid":"123/8433","text":"Sam E. Adams"},{"@pid":"42/6464","text":"Joe Townsend"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"}]},"title":"Ami - The chemist's amanuensis.","venue":"J. Cheminformatics","volume":"3","pages":"45","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BrooksTSMCOATM11","doi":"10.1186/1758-2946-3-45","ee":"https://doi.org/10.1186/1758-2946-3-45","url":"https://dblp.org/rec/journals/jcheminf/BrooksTSMCOATM11"}, "url":"URL#4582384" }, { "@score":"1", "@id":"4582385", "info":{"authors":{"author":[{"@pid":"18/8355","text":"Fabian Buchwald"},{"@pid":"39/6663","text":"Lothar Richter"},{"@pid":"k/StefanKramer1","text":"Stefan Kramer 0001"}]},"title":"Predicting a small molecule-kinase interaction map: A machine learning approach.","venue":"J. Cheminformatics","volume":"3","pages":"22","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/BuchwaldRK11","doi":"10.1186/1758-2946-3-22","ee":"https://doi.org/10.1186/1758-2946-3-22","url":"https://dblp.org/rec/journals/jcheminf/BuchwaldRK11"}, "url":"URL#4582385" }, { "@score":"1", "@id":"4582387", "info":{"authors":{"author":[{"@pid":"70/582","text":"Leonid L. Chepelev"},{"@pid":"d/MichelDumontier","text":"Michel Dumontier"}]},"title":"Semantic Web integration of Cheminformatics resources with the SADI framework.","venue":"J. Cheminformatics","volume":"3","pages":"16","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/ChepelevD11","doi":"10.1186/1758-2946-3-16","ee":"https://doi.org/10.1186/1758-2946-3-16","url":"https://dblp.org/rec/journals/jcheminf/ChepelevD11"}, "url":"URL#4582387" }, { "@score":"1", "@id":"4582388", "info":{"authors":{"author":[{"@pid":"70/582","text":"Leonid L. Chepelev"},{"@pid":"d/MichelDumontier","text":"Michel Dumontier"}]},"title":"Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration.","venue":"J. Cheminformatics","volume":"3","pages":"20","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/ChepelevD11a","doi":"10.1186/1758-2946-3-20","ee":"https://doi.org/10.1186/1758-2946-3-20","url":"https://dblp.org/rec/journals/jcheminf/ChepelevD11a"}, "url":"URL#4582388" }, { "@score":"1", "@id":"4582392", "info":{"authors":{"author":[{"@pid":"123/8471","text":"Pavel Dallakian"},{"@pid":"123/8514","text":"Norbert Haider"}]},"title":"FlaME: Flash Molecular Editor - a 2D structure input tool for the web.","venue":"J. Cheminformatics","volume":"3","pages":"6","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/DallakianH11","doi":"10.1186/1758-2946-3-6","ee":"https://doi.org/10.1186/1758-2946-3-6","url":"https://dblp.org/rec/journals/jcheminf/DallakianH11"}, "url":"URL#4582392" }, { "@score":"1", "@id":"4582393", "info":{"authors":{"author":{"@pid":"18/5757","text":"Axel Drefahl"}},"title":"CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures.","venue":"J. Cheminformatics","volume":"3","pages":"1","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/Drefahl11","doi":"10.1186/1758-2946-3-1","ee":"https://doi.org/10.1186/1758-2946-3-1","url":"https://dblp.org/rec/journals/jcheminf/Drefahl11"}, "url":"URL#4582393" }, { "@score":"1", "@id":"4582400", "info":{"authors":{"author":[{"@pid":"18/2495","text":"Xin Fu"},{"@pid":"123/8604","text":"Anna Wojak"},{"@pid":"65/1947","text":"Daniel Neagu"},{"@pid":"26/515","text":"Mick J. Ridley"},{"@pid":"118/0635","text":"Kim Travis"}]},"title":"Data governance in predictive toxicology: A review.","venue":"J. Cheminformatics","volume":"3","pages":"24","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/FuWNRT11","doi":"10.1186/1758-2946-3-24","ee":"https://doi.org/10.1186/1758-2946-3-24","url":"https://dblp.org/rec/journals/jcheminf/FuWNRT11"}, "url":"URL#4582400" }, { "@score":"1", "@id":"4582402", "info":{"authors":{"author":[{"@pid":"31/4081","text":"Andrei A. Gakh"},{"@pid":"77/1639","text":"Michael N. Burnett"},{"@pid":"88/1894","text":"Sergei V. Trepalin"},{"@pid":"72/7009","text":"Alexander V. Yarkov"}]},"title":"Modular Chemical Descriptor Language (MCDL): Stereochemical modules.","venue":"J. Cheminformatics","volume":"3","pages":"5","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/GakhBTY11","doi":"10.1186/1758-2946-3-5","ee":"https://doi.org/10.1186/1758-2946-3-5","url":"https://dblp.org/rec/journals/jcheminf/GakhBTY11"}, "url":"URL#4582402" }, { "@score":"1", "@id":"4582408", "info":{"authors":{"author":[{"@pid":"08/3352","text":"Lezan Hawizy"},{"@pid":"123/8351","text":"David M. Jessop"},{"@pid":"14/10027","text":"Nico Adams"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"}]},"title":"ChemicalTagger: A tool for semantic text-mining in chemistry.","venue":"J. Cheminformatics","volume":"3","pages":"17","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/HawizyJAM11","doi":"10.1186/1758-2946-3-17","ee":"https://doi.org/10.1186/1758-2946-3-17","url":"https://dblp.org/rec/journals/jcheminf/HawizyJAM11"}, "url":"URL#4582408" }, { "@score":"1", "@id":"4582410", "info":{"authors":{"author":[{"@pid":"38/4713","text":"Georg Hinselmann"},{"@pid":"25/9529","text":"Lars Rosenbaum"},{"@pid":"20/1688-1","text":"Andreas Jahn 0001"},{"@pid":"90/5491","text":"Nikolas Fechner"},{"@pid":"05/4192","text":"Andreas Zell"}]},"title":"jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints.","venue":"J. Cheminformatics","volume":"3","pages":"3","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/HinselmannRJFZ11","doi":"10.1186/1758-2946-3-3","ee":"https://doi.org/10.1186/1758-2946-3-3","url":"https://dblp.org/rec/journals/jcheminf/HinselmannRJFZ11"}, "url":"URL#4582410" }, { "@score":"1", "@id":"4582411", "info":{"authors":{"author":[{"@pid":"37/6650","text":"John D. Holliday"},{"@pid":"22/3088","text":"Evangelos Kanoulas"},{"@pid":"14/7205","text":"Nurul Malim"},{"@pid":"w/PeterWillett","text":"Peter Willett 0002"}]},"title":"Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision.","venue":"J. Cheminformatics","volume":"3","pages":"29","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/HollidayKM011","doi":"10.1186/1758-2946-3-29","ee":"https://doi.org/10.1186/1758-2946-3-29","url":"https://dblp.org/rec/journals/jcheminf/HollidayKM011"}, "url":"URL#4582411" }, { "@score":"1", "@id":"4582412", "info":{"authors":{"author":[{"@pid":"65/8557","text":"Abrar Hussain"},{"@pid":"123/8501","text":"Peter E. Shaw"},{"@pid":"92/1356","text":"Jonathan D. Hirst"}]},"title":"Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain.","venue":"J. Cheminformatics","volume":"3","pages":"49","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/HussainSH11","doi":"10.1186/1758-2946-3-49","ee":"https://doi.org/10.1186/1758-2946-3-49","url":"https://dblp.org/rec/journals/jcheminf/HussainSH11"}, "url":"URL#4582412" }, { "@score":"1", "@id":"4582413", "info":{"authors":{"author":[{"@pid":"20/1688-1","text":"Andreas Jahn 0001"},{"@pid":"25/9529","text":"Lars Rosenbaum"},{"@pid":"38/4713","text":"Georg Hinselmann"},{"@pid":"05/4192","text":"Andreas Zell"}]},"title":"4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening.","venue":"J. Cheminformatics","volume":"3","pages":"23","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/JahnRHZ11","doi":"10.1186/1758-2946-3-23","ee":"https://doi.org/10.1186/1758-2946-3-23","url":"https://dblp.org/rec/journals/jcheminf/JahnRHZ11"}, "url":"URL#4582413" }, { "@score":"1", "@id":"4582414", "info":{"authors":{"author":[{"@pid":"83/4154","text":"Nina Jeliazkova"},{"@pid":"15/1909","text":"Vedrin Jeliazkov"}]},"title":"AMBIT RESTful web services: an implementation of the OpenTox application programming interface.","venue":"J. Cheminformatics","volume":"3","pages":"18","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/JeliazkovaJ11","doi":"10.1186/1758-2946-3-18","ee":"https://doi.org/10.1186/1758-2946-3-18","url":"https://dblp.org/rec/journals/jcheminf/JeliazkovaJ11"}, "url":"URL#4582414" }, { "@score":"1", "@id":"4582415", "info":{"authors":{"author":[{"@pid":"123/8351","text":"David M. Jessop"},{"@pid":"123/8433","text":"Sam E. Adams"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"}]},"title":"Mining chemical information from open patents.","venue":"J. Cheminformatics","volume":"3","pages":"40","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/JessopAM11","doi":"10.1186/1758-2946-3-40","ee":"https://doi.org/10.1186/1758-2946-3-40","url":"https://dblp.org/rec/journals/jcheminf/JessopAM11"}, "url":"URL#4582415" }, { "@score":"1", "@id":"4582416", "info":{"authors":{"author":[{"@pid":"123/8351","text":"David M. Jessop"},{"@pid":"123/8433","text":"Sam E. Adams"},{"@pid":"99/3476","text":"Egon L. Willighagen"},{"@pid":"08/3352","text":"Lezan Hawizy"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"}]},"title":"OSCAR4: a flexible architecture for chemical text-mining.","venue":"J. Cheminformatics","volume":"3","pages":"41","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/JessopAWHM11","doi":"10.1186/1758-2946-3-41","ee":"https://doi.org/10.1186/1758-2946-3-41","url":"https://dblp.org/rec/journals/jcheminf/JessopAWHM11"}, "url":"URL#4582416" }, { "@score":"1", "@id":"4582417", "info":{"authors":{"author":[{"@pid":"10/6909","text":"Richard Jones"},{"@pid":"123/8382","text":"Mark MacGillivray"},{"@pid":"m/PeterMurrayRust","text":"Peter Murray-Rust"},{"@pid":"p/JimPitman","text":"Jim Pitman"},{"@pid":"01/8213","text":"Peter Sefton"},{"@pid":"10/11084","text":"Ben O'Steen"},{"@pid":"123/8404","text":"William Waites"}]},"title":"Open Bibliography for Science, Technology, and Medicine.","venue":"J. Cheminformatics","volume":"3","pages":"47","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/JonesMMPSOW11","doi":"10.1186/1758-2946-3-47","ee":"https://doi.org/10.1186/1758-2946-3-47","url":"https://dblp.org/rec/journals/jcheminf/JonesMMPSOW11"}, "url":"URL#4582417" }, { "@score":"1", "@id":"4582418", "info":{"authors":{"author":{"@pid":"08/919","text":"Jochen Junker"}},"title":"Theoretical NMR correlations based Structure Discussion.","venue":"J. Cheminformatics","volume":"3","pages":"27","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/Junker11","doi":"10.1186/1758-2946-3-27","ee":"https://doi.org/10.1186/1758-2946-3-27","url":"https://dblp.org/rec/journals/jcheminf/Junker11"}, "url":"URL#4582418" }, { "@score":"1", "@id":"4582419", "info":{"authors":{"author":{"@pid":"08/919","text":"Jochen Junker"}},"title":"Statistical filtering for NMR based structure generation.","venue":"J. Cheminformatics","volume":"3","pages":"31","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/Junker11a","doi":"10.1186/1758-2946-3-31","ee":"https://doi.org/10.1186/1758-2946-3-31","url":"https://dblp.org/rec/journals/jcheminf/Junker11a"}, "url":"URL#4582419" }, { "@score":"1", "@id":"4582423", "info":{"authors":{"author":[{"@pid":"38/7120","text":"Varun Khanna"},{"@pid":"r/ShobaRanganathan","text":"Shoba Ranganathan"}]},"title":"Structural diversity of biologically interesting datasets: a scaffold analysis approach.","venue":"J. Cheminformatics","volume":"3","pages":"30","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/KhannaR11","doi":"10.1186/1758-2946-3-30","ee":"https://doi.org/10.1186/1758-2946-3-30","url":"https://dblp.org/rec/journals/jcheminf/KhannaR11"}, "url":"URL#4582423" }, { "@score":"1", "@id":"4582424", "info":{"authors":{"author":[{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: Shape compatibility filtering using molecular shape quadrupoles.","venue":"J. Cheminformatics","volume":"3","pages":"25","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/KimBB11","doi":"10.1186/1758-2946-3-25","ee":"https://doi.org/10.1186/1758-2946-3-25","url":"https://dblp.org/rec/journals/jcheminf/KimBB11"}, "url":"URL#4582424" }, { "@score":"1", "@id":"4582425", "info":{"authors":{"author":[{"@pid":"96/5577-2","text":"Sunghwan Kim 0002"},{"@pid":"45/9420","text":"Evan Bolton"},{"@pid":"20/1683","text":"Stephen H. Bryant"}]},"title":"PubChem3D: Biologically relevant 3-D similarity.","venue":"J. Cheminformatics","volume":"3","pages":"26","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/KimBB11a","doi":"10.1186/1758-2946-3-26","ee":"https://doi.org/10.1186/1758-2946-3-26","url":"https://dblp.org/rec/journals/jcheminf/KimBB11a"}, "url":"URL#4582425" }, { "@score":"1", "@id":"4582434", "info":{"authors":{"author":[{"@pid":"123/8412","text":"Norman C. LeDonne"},{"@pid":"123/8502","text":"Kevin Rissolo"},{"@pid":"123/8529","text":"James Bulgarelli"},{"@pid":"123/8559","text":"Leonard Tini"}]},"title":"Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models.","venue":"J. Cheminformatics","volume":"3","pages":"7","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/LeDonneRBT11","doi":"10.1186/1758-2946-3-7","ee":"https://doi.org/10.1186/1758-2946-3-7","url":"https://dblp.org/rec/journals/jcheminf/LeDonneRBT11"}, "url":"URL#4582434" }, { "@score":"1", "@id":"4582438", "info":{"authors":{"author":[{"@pid":"123/8573","text":"Michael P. Mazanetz"},{"@pid":"123/8535","text":"Osamu Ichihara"},{"@pid":"40/7948","text":"Richard Law"},{"@pid":"75/4222","text":"Mark Whittaker"}]},"title":"Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method.","venue":"J. Cheminformatics","volume":"3","pages":"2","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/MazanetzILW11","doi":"10.1186/1758-2946-3-2","ee":"https://doi.org/10.1186/1758-2946-3-2","url":"https://dblp.org/rec/journals/jcheminf/MazanetzILW11"}, "url":"URL#4582438" }, { "@score":"1", "@id":"4582439", "info":{"authors":{"author":[{"@pid":"123/8496","text":"Patrick McCarren"},{"@pid":"32/4563","text":"Clayton Springer"},{"@pid":"38/3564","text":"Lewis Whitehead"}]},"title":"An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential.","venue":"J. Cheminformatics","volume":"3","pages":"51","year":"2011","type":"Journal Articles","access":"open","key":"journals/jcheminf/McCarrenSW11","doi":"10.1186/1758-2946-3-51","ee":"https://doi.org/10.1186/1758-2946-3-51","url":"https://dblp.org/rec/journals/jcheminf/McCarrenSW11"}, "url":"URL#4582439" } ] } } } )