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	1. 2690 Accesses	Software JSME: a free molecule editor in JavaScript Bruno Bienfait, Peter Ertl Journal of Cheminformatics 2013, 5:24 (21 May 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed \| Editor’s summary \| Graphical abstract A free molecule editor written in JavaScript was developed and is released under the terms of permissive BSD license. The editor is compatible with JME, has practically the same user interface as well as the web application programming interface.
	2. 1000 Accesses	Research article From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language Wibe A de Jong, Andrew M Walker, Marcus D Hanwell Journal of Cheminformatics 2013, 5:25 (24 May 2013) Abstract \| Provisional PDF \| PubMed \| Graphical abstract
	3. 944 Accesses	Software Avogadro: an advanced semantic chemical editor, visualization, and analysis platform Marcus D Hanwell, Donald E Curtis, David C Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R Hutchison Journal of Cheminformatics 2012, 4:17 (13 August 2012) Abstract \| Full text \| PDF \| PubMed \| Editor’s summary \| Graphical abstract The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
	4. 868 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 \| Cited on BioMed Central \| Graphical abstract
	5. 802 Accesses	Research article Open-source platform to benchmark fingerprints for ligand-based virtual screening Sereina Riniker, Gregory A Landrum Journal of Cheminformatics 2013, 5:26 (30 May 2013) Abstract \| Provisional PDF \| PubMed \| Graphical abstract
	6. 743 Accesses	Research article Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions Faizan Sahigara, Davide Ballabio, Roberto Todeschini, Viviana Consonni Journal of Cheminformatics 2013, 5:27 (30 May 2013) Abstract \| Full text \| PDF \| PubMed
	7. 660 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 \| Cited on BioMed Central \| 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
	8. 627 Accesses	Book report Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov Christoph Steinbeck Journal of Cheminformatics 2013, 5:29 (3 June 2013) Abstract \| Full text \| PDF \| ePUB
	9. 615 Accesses	Methodology The ChEMBL database as linked open data Egon L Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J Wild Journal of Cheminformatics 2013, 5:23 (8 May 2013) Abstract \| Provisional PDF \| PubMed \| Editor’s summary \| Graphical abstract An ongoing project converting data from the ChEMBL database into RDF triples. The ChEMBL-RDF resource creates a foundation for integrated semantic web cheminformatics applications.
	10. 581 Accesses	Database HIM-herbal ingredients in-vivo metabolism database Hong Kang, Kailin Tang, Qi Liu, Yi Sun, Qi Huang, Ruixin Zhu, Jun Gao, Duanfeng Zhang, Chenggang Huang, Zhiwei Cao Journal of Cheminformatics 2013, 5:28 (31 May 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed
	11. 569 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
	12. 525 Accesses	Research article Predicting p K _avalues from EEM atomic charges Radka Vařeková, Stanislav Geidl, Crina-Maria Ionescu, Ondřej Skřehota, Tomáš Bouchal, David Sehnal, Ruben Abagyan, Jaroslav Koča Journal of Cheminformatics 2013, 5:18 (10 April 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed \| Graphical abstract
	13. 524 Accesses	Software Extracting and connecting chemical structures from text sources using chemicalize.org Christopher Southan, Andras Stracz Journal of Cheminformatics 2013, 5:20 (23 April 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed \| Editor’s summary \| Graphical abstract This work demonstrates the utility of chemicalize.org for the exploration of chemical structure connectivity between documents and databases, including structure searches in PubChem, InChIKey searches in Google and the chemicalize.org archive
	14. 438 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
	15. 419 Accesses	Research article A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding Ying-Ting Lin Journal of Cheminformatics 2013, 5:21 (30 April 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed \| Graphical abstract
	16. 410 Accesses	Review Computational mass spectrometry for small molecules Kerstin Scheubert, Franziska Hufsky, Sebastian Böcker Journal of Cheminformatics 2013, 5:12 (1 March 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed
	17. 396 Accesses	Research article Druggable chemical space and enumerative combinatorics Melvin J Yu Journal of Cheminformatics 2013, 5:19 (18 April 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed \| Graphical abstract
	18. 362 Accesses	Research article In-silico design of computational nucleic acids for molecular information processing Effirul Ramlan, Klaus-Peter Zauner Journal of Cheminformatics 2013, 5:22 (7 May 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed
	19. 353 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 \| Cited on BioMed Central \| Graphical abstract
	20. 343 Accesses	Research article Random forests for feature selection in QSPR Models - an application for predicting standard enthalpy of formation of hydrocarbons Ana L Teixeira, João P Leal, Andre O Falcao Journal of Cheminformatics 2013, 5:9 (11 February 2013) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	21. 343 Accesses	Research article The influence of the inactives subset generation on the performance of machine learning methods Sabina Smusz, Rafał Kurczab, Andrzej J Bojarski Journal of Cheminformatics 2013, 5:17 (5 April 2013) Abstract \| Full text \| PDF \| ePUB \| PubMed
	22. 328 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
	23. 328 Accesses	Research article Computational analysis and predictive modeling of small molecule modulators of microRNA Salma Jamal, Vinita Periwal, OpenSourceDrugDiscovery Consortium, Vinod Scaria Journal of Cheminformatics 2012, 4:16 (13 August 2012) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| 1 comment
	24. 314 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
	25. 303 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