Journal of Cheminformatics | Most Forwarded

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	1.	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
	2.	Research article Combining docking with pharmacophore filtering for improved virtual screening Megan L Peach, Marc C Nicklaus Journal of Cheminformatics 2009, 1:6 (20 May 2009) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	3.	Software Small Molecule Subgraph Detector (SMSD) toolkit Syed Rahman, Matthew Bashton, Gemma L Holliday, Rainer Schrader, Janet M Thornton Journal of Cheminformatics 2009, 1:12 (10 August 2009) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central
	4.	Software New developments on the cheminformatics open workflow environment CDK-Taverna Andreas Truszkowski, Kalai Jayaseelan, Stefan Neumann, Egon L Willighagen, Achim Zielesny, Christoph Steinbeck Journal of Cheminformatics 2011, 3:54 (13 December 2011) Abstract \| Full text \| 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
	5.	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
	6.	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
	7.	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
	8.	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
	9.	Methodology In-silico Predictive Mutagenicity Model Generation Using Supervised Learning Approaches Abhik Seal, Anurag Passi, UC Abdul Jaleel, David J. Wild, OSDD Consortium Journal of Cheminformatics 2012, 4:10 (15 May 2012) Abstract \| Provisional PDF \| PubMed
	10.	Methodology Organization of GC/MS and LC/MS metabolomics data into chemical libraries Corey D DeHaven, Anne M Evans, Hongping Dai, Kay A Lawton Journal of Cheminformatics 2010, 2:9 (18 October 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central
	11.	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
	12.	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
	13.	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 \| Full text \| PDF \| PubMed \| Graphical abstract
	14.	Software LICSS - a chemical spreadsheet in microsoft excel Kevin R Lawson, Jonty Lawson Journal of Cheminformatics 2012, 4:3 (2 February 2012) Abstract \| Full text \| 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
	15.	Research article Basic primitives for molecular diagram sketching Alex M Clark Journal of Cheminformatics 2010, 2:8 (5 October 2010) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
	16.	Software WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications Qian Zhu, Michael S Lajiness, Ying Ding, David J Wild Journal of Cheminformatics 2010, 2:6 (20 August 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	17.	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
	18.	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
	19.	Research article Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method Michael P Mazanetz, Osamu Ichihara, Richard J Law, Mark Whittaker Journal of Cheminformatics 2011, 3:2 (10 January 2011) Abstract \| Full text \| PDF \| PubMed \| 2 comments
	20.	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
	21.	Research article Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining Kristina M Hettne, Antony J Williams, Erik M van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A Kors Journal of Cheminformatics 2010, 2:3 (23 March 2010) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
	22.	Editorial Grand challenges for cheminformatics David J Wild Journal of Cheminformatics 2009, 1:1 (17 March 2009) Abstract \| Full text \| PDF \| PubMed
	23.	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
	24.	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