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	1. 1277 Accesses	Research article Predicting the mechanism of phospholipidosis Robert Lowe, Hamse Y Mussa, Florian Nigsch, Robert C Glen, John BO Mitchell Journal of Cheminformatics 2012, 4:2 (26 January 2012) Abstract \| Provisional PDF \| PubMed \| Editor’s summary \| Graphical abstract An in silico approach was used to predict targets for phospholipidosis, a lysosomal disorder characterized by accumulation of phospholipids in tissues. By predicting targets for a database of compounds, they can be ranked by their potential to cause phospholipidosis
	2. 1058 Accesses	Software LICSS - A chemical spreadsheet in Microsoft Excel Kevin R Lawson, Jonty Lawson Journal of Cheminformatics 2012, 4:3 (2 February 2012) Abstract \| Provisional PDF \| PubMed \| Editor’s summary A lightweight open source chemical spreadsheet has been developed that runs within Microsoft Excel and can be used on sheets containing hundreds of thousands of compounds without compromising normal performance
	3. 624 Accesses	Research article Blind trials of Computer-Assisted Structure Elucidation software Arvin Moser, Mikhail E Elyashberg, Antony J Williams, Kirill A Blinov, Joseph C DiMartino Journal of Cheminformatics 2012, 4:5 (9 February 2012) Abstract \| Provisional PDF \| PubMed \| Graphical abstract
	4. 608 Accesses	Methodology Making SharePoint^®Chemically Aware™ Kartik Tallapragada, Joseph Chewning, David Kombo, Beverly Ludwick Journal of Cheminformatics 2012, 4:1 (12 January 2012) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	5. 545 Accesses	Software New developments on the cheminformatics open workflow environment CDK-Taverna Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L Willighagen, Achim Zielesny, Christoph Steinbeck Journal of Cheminformatics 2011, 3:54 (13 December 2011) Abstract \| Provisional PDF \| PubMed \| Editor’s summary \| Graphical abstract The most up to date version of the CDK-Taverna project is described, which aims at building a free open-source cheminformatics pipelining solution through a combination of different open-source projects
	6. 524 Accesses	Software Open Babel: An open chemical toolbox Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison Journal of Cheminformatics 2011, 3:33 (7 October 2011) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary \| Graphical abstract The first publication reporting the features, implementation and validation of the open source chemical toolbox - Open Babel - is described, which includes a summary of key advances in the 2.3 release
	7. 515 Accesses	Research article A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space Narender Singh, Hongmao Sun, Sidhartha Chaudhury, Mohamed DM AbdulHameed, Anders Wallqvist, Gregory Tawa Journal of Cheminformatics 2012, 4:4 (8 February 2012) Abstract \| Provisional PDF \| PubMed \| Graphical abstract
	8. 429 Accesses	Review Molecular structure input on the web Peter Ertl Journal of Cheminformatics 2010, 2:1 (2 February 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| 1 comment \| Graphical abstract
	9. 387 Accesses	Research article Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V Filippov, Robert M Hanson, Marcus D Hanwell, Geoffrey R Hutchison, Craig A James, Nina Jeliazkova, Andrew SID Lang, Karol M Langner, David C Lonie, Daniel M Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L Tenderholt, Kevin J Theisen, Peter Murray-Rust Journal of Cheminformatics 2011, 3:37 (14 October 2011) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary \| Graphical abstract The work carried out by the Blue Obelisk movement over the last five years is described, with a discussion of the current progress and future challenges in Open Data, Open Standards, and Open Source in chemistry
	10. 377 Accesses	Research article Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions Peter Ertl, Ansgar Schuffenhauer Journal of Cheminformatics 2009, 1:8 (10 June 2009) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	11. 354 Accesses	Research article Virtual screening of bioassay data Amanda C Schierz Journal of Cheminformatics 2009, 1:21 (22 December 2009) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central
	12. 331 Accesses	Software MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters Rui MV Abreu, Hugo JC Froufe, Maria Queiroz, Isabel CFR Ferreira Journal of Cheminformatics 2010, 2:10 (28 October 2010) Abstract \| Full text \| PDF \| PubMed
	13. 326 Accesses	Preliminary communication Linked open drug data for pharmaceutical research and development Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Kallesøe, Egon Willighagen, Janos Hajagos, M Marshall, Eric Prud'hommeaux, Oktie Hassanzadeh, Elgar Pichler, Susie Stephens Journal of Cheminformatics 2011, 3:19 (16 May 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	14. 311 Accesses	Research article Open Bibliography for Science, Technology, and Medicine Richard Jones, Mark MacGillivray, Peter Murray-Rust, Jim Pitman, Peter Sefton, Ben O'Steen, William Waites Journal of Cheminformatics 2011, 3:47 (14 October 2011) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary BibJSON, a simple structured text data format suitable for serialisation and storage of large quantities of bibliographic data is presented and the concept of a distributed bibliography is explored
	15. 303 Accesses	Research article PubChem3D: Similar conformers Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:13 (9 May 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	16. 282 Accesses	Research article The past, present and future of Scientific discourse Henry S Rzepa Journal of Cheminformatics 2011, 3:46 (14 October 2011) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary \| Graphical abstract The increased functionality offered by online publishing is explored by comparing a paper published in 1953 with one from 2010, illustrating how additional data sources can be implemented
	17. 278 Accesses	Research article Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony J Williams, Tatiana Churanova Journal of Cheminformatics 2009, 1:3 (17 March 2009) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	18. 257 Accesses	Research article Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock Zsolt Bikadi, Eszter Hazai Journal of Cheminformatics 2009, 1:15 (11 September 2009) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	19. 252 Accesses	Research article Automated annotation of chemical names in the literature with tunable accuracy Jun D Zhang, Lewis Y Geer, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2011, 3:52 (22 November 2011) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary \| Graphical abstract An automated chemical name annotation system has been developed to annotate small molecule names in scientific abstracts with the aim of reproducing MeSH term annotations on biomedical and chemical literature
	20. 252 Accesses	Methodology Towards interoperable and reproducible QSAR analyses: Exchange of datasets Ola Spjuth, Egon L Willighagen, Rajarshi Guha, Martin Eklund, Jarl ES Wikberg Journal of Cheminformatics 2010, 2:5 (30 June 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	21. 243 Accesses	Software MyChemise: A 2D drawing program that uses morphing for visualisation purposes Jörg-Hubertus Wilhelm Journal of Cheminformatics 2011, 3:53 (12 December 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	22. 225 Accesses	Commentary Openness as infrastructure John Wilbanks Journal of Cheminformatics 2011, 3:36 (14 October 2011) Abstract \| Full text \| PDF \| PubMed
	23. 223 Accesses	Software The PubChem chemical structure sketcher Wolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2009, 1:20 (17 December 2009) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	24. 216 Accesses	Research article Collaborative development of predictive toxicology applications Barry Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Joerg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry Druzhilovsky, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel, Sylvia Escher et al. Journal of Cheminformatics 2010, 2:7 (31 August 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	25. 215 Accesses	Research article PubChem3D: Biologically relevant 3-D similarity Sunghwan Kim, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2011, 3:26 (22 July 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract