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	1. 7210 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
	2. 4347 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
	3. 3912 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
	4. 3800 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
	5. 3635 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
	6. 3589 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
	7. 3542 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
	8. 3483 Accesses	Commentary Openness as infrastructure John Wilbanks Journal of Cheminformatics 2011, 3:36 (14 October 2011) Abstract \| Full text \| PDF \| PubMed
	9. 3290 Accesses	Research article Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds Christopher Southan, Kiran Boppana, Sarma ARP Jagarlapudi, Sorel Muresan Journal of Cheminformatics 2011, 3:14 (13 May 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	10. 3228 Accesses	Research article PubChem3D: Conformer generation Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:4 (27 January 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	11. 3188 Accesses	Research article ChemicalTagger: A tool for semantic text-mining in chemistry Lezan Hawizy, David M Jessop, Nico Adams, Peter Murray-Rust Journal of Cheminformatics 2011, 3:17 (16 May 2011) Abstract \| Full text \| PDF \| PubMed
	12. 3015 Accesses	Software FlaME: Flash Molecular Editor - a 2D structure input tool for the web Pavel Dallakian, Norbert Haider Journal of Cheminformatics 2011, 3:6 (1 February 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	13. 2921 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
	14. 2863 Accesses	Software AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment Jonna C Stålring, Lars A Carlsson, Pedro Almeida, Scott Boyer Journal of Cheminformatics 2011, 3:28 (28 July 2011) Abstract \| Full text \| PDF \| PubMed \| 1 comment
	15. 2861 Accesses	Research article Structural diversity of biologically interesting datasets: a scaffold analysis approach Varun Khanna, Shoba Ranganathan Journal of Cheminformatics 2011, 3:30 (8 August 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	16. 2766 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
	17. 2643 Accesses	Review Data governance in predictive toxicology: A review Xin Fu, Anna Wojak, Daniel Neagu, Mick Ridley, Kim Travis Journal of Cheminformatics 2011, 3:24 (13 July 2011) Abstract \| Full text \| PDF \| PubMed
	18. 2615 Accesses	Software Confab - Systematic generation of diverse low-energy conformers Noel M O'Boyle, Tim Vandermeersch, Christopher J Flynn, Anita R Maguire, Geoffrey R Hutchison Journal of Cheminformatics 2011, 3:8 (16 March 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	19. 2593 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
	20. 2585 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
	21. 2508 Accesses	Research article Interpretable correlation descriptors for quantitative structure-activity relationships Benson M Spowage, Craig L Bruce, Jonathan D Hirst Journal of Cheminformatics 2009, 1:22 (24 December 2009) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	22. 2482 Accesses	Research article Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision John D Holliday, Evangelos Kanoulas, Nurul Malim, Peter Willett Journal of Cheminformatics 2011, 3:29 (8 August 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	23. 2403 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
	24. 2390 Accesses	Research article PubChem3D: Diversity of shape Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:9 (21 March 2011) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	25. 2379 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