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1.

55053
Accesses

Perspectives   Open Access Highly Accessed

Toward a general theory of evolution: Extending Darwinian theory to inanimate matter

Addy Pross Journal of Systems Chemistry 2011, 2:1 (7 June 2011)

Abstract | Full text | PDF

2.

37557
Accesses

Research article   Open Access Highly Accessed

Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks

Declan P Naughton, Andrea Petróczi Chemistry Central Journal 2008, 2:22 (30 October 2008)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | 1 comment | Graphical abstract

3.

36593
Accesses

Research article   Open Access Highly Accessed

Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products

Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, Mark J Payne, Julie Mann, Larry Hainly, Debra L Miller Chemistry Central Journal 2011, 5:5 (7 February 2011)

Abstract | Full text | PDF | PubMed

4.

34963
Accesses

Research article   Open Access Highly Accessed

PocketPicker: analysis of ligand binding-sites with shape descriptors

Martin Weisel, Ewgenij Proschak, Gisbert Schneider Chemistry Central Journal 2007, 1:7 (13 March 2007)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

5.

33554
Accesses

Preliminary communication   Open Access Highly Accessed

Different extraction methods of biologically active components from propolis: a preliminary study

Boryana Trusheva, Dorina Trunkova, Vassya Bankova Chemistry Central Journal 2007, 1:13 (7 June 2007)

Abstract | Full text | PDF | PubMed

6.

21542
Accesses

Review   Open Access Highly Accessed

Chemistry in Second Life

Andrew SID Lang, Jean-Claude Bradley Chemistry Central Journal 2009, 3:14 (23 October 2009)

Abstract | Full text | PDF | PubMed | Graphical abstract

7.

19357
Accesses

Software   Open Access Highly Accessed

PubChemSR: A search and retrieval tool for PubChem

Junguk Hur, David J Wild Chemistry Central Journal 2008, 2:11 (15 May 2008)

Abstract | Full text | PDF | PubMed

8.

18529
Accesses

Commentary   Open Access Highly Accessed

Open access and open source in chemistry

Matthew H Todd Chemistry Central Journal 2007, 1:3 (19 February 2007)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Matthew Todd, University of Sydney, discusses open access and open source, with recent examples relevant to chemistry, highlighting the differences between the two, and the strengths of both.

9.

18217
Accesses

Research article   Open Access Highly Accessed

Graphite furnace atomic absorption spectrometry as a routine method for the quantification of beryllium in blood and serum

Chadi H Stephan, Michel Fournier, Pauline Brousseau, Sébastien Sauvé Chemistry Central Journal 2008, 2:14 (2 July 2008)

Abstract | Full text | PDF | PubMed | Graphical abstract

10.

18148
Accesses

Research article   Open Access Highly Accessed

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

11.

17601
Accesses

Research article   Open Access Highly Accessed

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

12.

16782
Accesses

Review   Open Access Highly Accessed

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

13.

16147
Accesses

Research article   Open Access Highly Accessed

Evaluation of Biologically Active Compounds from Calendula officinalis Flowers using Spectrophotometry

Monica Butnariu, Cristina Coradini Chemistry Central Journal 2012, 6:35 (27 April 2012)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

14.

15443
Accesses

Article   Open Access

Acid mine drainage biogeochemistry at Iron Mountain, California

Gregory K Druschel, Brett J Baker, Thomas M Gihring, Jillian F Banfield Geochemical Transactions 2004, 5:13 (30 June 2004)

Abstract | Full text | PDF

15.

15415
Accesses

Research article   Open Access Highly Accessed

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

16.

15092
Accesses

Software   Open Access Highly Accessed

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Noel M O'Boyle, Chris Morley, Geoffrey R Hutchison Chemistry Central Journal 2008, 2:5 (9 March 2008)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

17.

14854
Accesses

Preliminary communication   Open Access Highly Accessed

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

18.

14183
Accesses

Research article   Open Access Highly Accessed

Determination of metal ion content of beverages and estimation of target hazard quotients: a comparative study

Theresa Hague, Andrea Petroczi, Paul LR Andrews, James Barker, Declan P Naughton Chemistry Central Journal 2008, 2:13 (25 June 2008)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

19.

13665
Accesses

Research article   Open Access Highly Accessed

Rapid and mobile determination of alcoholic strength in wine, beer and spirits using a flow-through infrared sensor

Dirk W Lachenmeier, Rolf Godelmann, Markus Steiner, Bob Ansay, Jürgen Weigel, Gunther Krieg Chemistry Central Journal 2010, 4:5 (23 March 2010)

Abstract | Full text | PDF | PubMed | Graphical abstract

20.

13587
Accesses

Software   Open Access Highly Accessed

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

21.

13360
Accesses

Research article   Open Access Highly Accessed

Spectrophotometric determination of etodolac in pure form and pharmaceutical formulations

Ayman A Gouda, Wafaa S Hassan Chemistry Central Journal 2008, 2:7 (14 April 2008)

Abstract | Full text | PDF | PubMed

22.

13248
Accesses

Research article   Open Access Highly Accessed

A multipurpose immobilized biocatalyst with pectinase, xylanase and cellulase activities

Sohel Dalal, Aparna Sharma, Munishwar Gupta Chemistry Central Journal 2007, 1:16 (8 June 2007)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

23.

12904
Accesses

Research article   Open Access Highly Accessed

Antioxidant activity of noni juice in heavy smokers

Mian-Ying Wang, M Nawal Lutfiyya, Vicki Weidenbacher-Hoper, Gary Anderson, Chen X Su, Brett J West Chemistry Central Journal 2009, 3:13 (6 October 2009)

Abstract | Full text | PDF | PubMed

24.

12167
Accesses

Software   Open Access Highly Accessed

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.

25.

12148
Accesses

Research article   Open Access Highly Accessed

Effect of carboxymethyl cellulose concentration on physical properties of biodegradable cassava starch-based films

Wirongrong Tongdeesoontorn, Lisa J Mauer, Sasitorn Wongruong, Pensiri Sriburi, Pornchai Rachtanapun Chemistry Central Journal 2011, 5:6 (10 February 2011)

Abstract | Full text | PDF | PubMed

26.

11828
Accesses

Editorial   Open Access Highly Accessed

Welcome Home, Systems Chemists!

Günter von Kiedrowski, Sijbren Otto, Piet Herdewijn Journal of Systems Chemistry 2010, 1:1 (18 August 2010)

Abstract | Full text | PDF

27.

11220
Accesses

Research article   Open Access Highly Accessed

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

28.

11191
Accesses

Research article   Open Access Highly Accessed

GC-MS studies of the chemical composition of two inedible mushrooms of the genus Agaricus

Assya Petrova, Kalina Alipieva, Emanuela Kostadinova, Daniela Antonova, Maria Lacheva, Melania Gjosheva, Simeon Popov, Vassya Bankova Chemistry Central Journal 2007, 1:33 (20 December 2007)

Abstract | Full text | PDF | PubMed | Graphical abstract

29.

10807
Accesses

Research article   Open Access

Phosphorus retention in calcareous soils and the effect of organic matter on its mobility

Ray von Wandruszka Geochemical Transactions 2006, 7:6 (12 June 2006)

Abstract | Full text | PDF | PubMed |  Editor’s summary

A survey of the interactions between phosphorus (P) species and the components of calcareous soils shows that both surface reactions and precipitation take place, especially in the presence of calcite and limestone.

30.

10509
Accesses

Software   Open Access Highly Accessed

The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files

Robert J Lancashire Chemistry Central Journal 2007, 1:31 (7 December 2007)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

31.

10464
Accesses

Software   Open Access Highly Accessed

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

32.

10175
Accesses

Research article   Open Access Highly Accessed

Chemical analysis of Greek pollen - Antioxidant, antimicrobial and proteasome activation properties

Konstantia Graikou, Suzanne Kapeta, Nektarios Aligiannis, George Sotiroudis, Niki Chondrogianni, Efstathios Gonos, Ioanna Chinou Chemistry Central Journal 2011, 5:33 (23 June 2011)

Abstract | Full text | PDF | PubMed | Graphical abstract

33.

10095
Accesses

Methodology   Open Access Highly Accessed

Selective masking and demasking for the stepwise complexometric determination of aluminium, lead and zinc from the same solution

Nijhuma Kayal, Nahar Singh Chemistry Central Journal 2008, 2:4 (6 March 2008)

Abstract | Full text | PDF | PubMed

34.

9817
Accesses

Research article   Open Access Highly Accessed

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

35.

9799
Accesses

Research article   Open Access Highly Accessed

Preparation and magnetic properties of nano size nickel ferrite particles using hydrothermal method

Kamellia Nejati, Rezvanh Zabihi Chemistry Central Journal 2012, 6:23 (30 March 2012)

Abstract | Full text | PDF | PubMed | Graphical abstract

36.

9677
Accesses

Research article   Open Access Highly Accessed

Predicting olfactory receptor neuron responses from odorant structure

Michael Schmuker, Marien de Bruyne, Melanie Hähnel, Gisbert Schneider Chemistry Central Journal 2007, 1:11 (4 May 2007)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Olfactory coding was mimicked by modeling responses of primary olfactory neurons to small molecules using a large set of physicochemical molecular descriptors and artificial neural networks.

37.

9606
Accesses

Research article   Open Access Highly Accessed

Microbial sulfate reduction and metal attenuation in pH 4 acid mine water

Clinton D Church, Richard T Wilkin, Charles N Alpers, Robert O Rye, R Blaine McCleskey Geochemical Transactions 2007, 8:10 (23 October 2007)

Abstract | Full text | PDF | PubMed

38.

9590
Accesses

Research article   Open Access Highly Accessed

Freezing point osmometry of milk to determine the additional water content – an issue in general quality control and German food regulation

Britta Büttel, Markus Fuchs, Birger Holz Chemistry Central Journal 2008, 2:6 (10 March 2008)

Abstract | Full text | PDF | PubMed

39.

9537
Accesses

Research article   Open Access Highly Accessed

Optimal assignment methods for ligand-based virtual screening

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell Journal of Cheminformatics 2009, 1:14 (25 August 2009)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

40.

9520
Accesses

Article   Open Access

Humic acids: Their detergent qualities and potential uses in pollution remediation

Ray von Wandruszka Geochemical Transactions 2000, 1:10 (12 April 2000)

Abstract | Full text | PDF

41.

9414
Accesses

Research article   Open Access Highly Accessed

Heavy metals health risk assessment for population via consumption of vegetables grown in old mining area; a case study: Banat County, Romania

Monica Harmanescu, Liana Alda, Despina Bordean, Ioan Gogoasa, Iosif Gergen Chemistry Central Journal 2011, 5:64 (22 October 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

42.

9308
Accesses

Research article   Open Access Highly Accessed

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

43.

9264
Accesses

Research article   Open Access Highly Accessed

Computational molecular characterization of the flavonoid rutin

Sergio A Payán-Gómez, Norma Flores-Holguín, Antonino Pérez-Hernández, Manuel Piñón-Miramontes, Daniel Glossman-Mitnik Chemistry Central Journal 2010, 4:12 (22 June 2010)

Abstract | Full text | PDF | PubMed

44.

9193
Accesses

Methodology   Open Access Highly Accessed

Automated extraction of chemical structure information from digital raster images

Jungkap Park, Gus R Rosania, Kerby A Shedden, Mandee Nguyen, Naesung Lyu, Kazuhiro Saitou Chemistry Central Journal 2009, 3:4 (5 February 2009)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

45.

9083
Accesses

Research article   Open Access Highly Accessed

Antioxidant activity relationship of phenolic compounds in Hypericum perforatum L.

Dejan Z Orčić, Neda M Mimica-Dukić, Marina M Francišković, Slobodan S Petrović, Emilija Đ Jovin Chemistry Central Journal 2011, 5:34 (25 June 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

46.

9077
Accesses

Research article   Open Access Highly Accessed

Facile solution-phase synthesis of γ-Mn3O4 hierarchical structures

Zhengcui Wu, Kuai Yu, Yaobin Huang, Cheng Pan, Yi Xie Chemistry Central Journal 2007, 1:8 (17 March 2007)

Abstract | Full text | PDF | PubMed

47.

9001
Accesses

Research article   Open Access Highly Accessed

Hollow mesoporous silica nanoparticles for intracellular delivery of fluorescent dye

Huichen Guo, Haisheng Qian, Shiqi Sun, Dehui Sun, Hong Yin, Xuepeng Cai, Zaixin Liu, Jinyan Wu, Tao Jiang, Xiangtao Liu Chemistry Central Journal 2011, 5:1 (5 January 2011)

Abstract | Full text | PDF | PubMed | Graphical abstract

48.

8958
Accesses

Research article   Open Access Highly Accessed

Solvent effect on the spectral properties of Neutral Red

Muhammad A Rauf, Ahmed A Soliman, Muhammad Khattab Chemistry Central Journal 2008, 2:19 (18 September 2008)

Abstract | Full text | PDF | PubMed

49.

8926
Accesses

Methodology   Open Access Highly Accessed

Isolation, purification, and full NMR assignments of cyclopamine from Veratrum californicum

John E Oatis, Pam Brunsfeld, James W Rushing, Peter D Moeller, Daniel W Bearden, Thomas N Gallien, George Cooper Chemistry Central Journal 2008, 2:12 (24 June 2008)

Abstract | Full text | PDF | PubMed | Graphical abstract

50.

8902
Accesses

Software   Open Access Highly Accessed

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

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