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1.

2690
Accesses

Software   Open Access Highly Accessed

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.

1509
Accesses

Review   Open Access

Microwave energy potential for biodiesel production

Veera Gude, Prafulla Patil, Edith Martinez-Guerra, Shuguang Deng, Nagamany Nirmalakhandan Sustainable Chemical Processes 2013, 1:5 (22 May 2013)

Abstract | Full text | PDF | Graphical abstract

3.

1510
Accesses

Research article   Open Access Highly Accessed

Transformation of PVP coated silver nanoparticles in a simulated wastewater treatment process and the effect on microbial communities

Casey L Doolette, Mike J McLaughlin, Jason K Kirby, Damien J Batstone, Hugh H Harris, Huoqing Ge, Geert Cornelis Chemistry Central Journal 2013, 7:46 (4 March 2013)

Abstract | Full text | PDF | ePUB | PubMed |  Editor’s summary | Graphical abstract

The fate of AgNPs, which are increasingly found in consumer products and therefore wastewater, was investigated in sewage subjected to aerobic and anaerobic treatment, and the impact of AgNPs on microbial processes and communities was evaluated.

4.

1239
Accesses

Review   Open Access

Ionic liquids as a tool for lignocellulosic biomass fractionation

Andre M da Costa Lopes, Karen G João, Ana Rita C Morais, Ewa Bogel-Łukasik, Rafał Bogel-Łukasik Sustainable Chemical Processes 2013, 1:3 (22 May 2013)

Abstract | Full text | PDF |  Editor’s summary

Lignocellulosic biomass represents an abundant and renewable carbon source, but there are various drawbacks in the traditional methods used to process it. This review discusses the use of ionic liquid technology as a tool for lignocellulosic biomass fractionation

5.

1142
Accesses

Editorial   Open Access

Editorial

Munishwar N Gupta Sustainable Chemical Processes 2013, 1:1 (22 May 2013)

Full text | PDF

6.

1023
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

7.

1000
Accesses

Research article   Open Access

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

8.

979
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

9.

944
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.

10.

964
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

11.

955
Accesses

Research article   Open Access Highly Accessed

TiO2-graphene oxide nanocomposite as advanced photocatalytic materials

Václav Štengl, Snejana Bakardjieva, Tomáš Matys Grygar, Jana Bludská, Martin Kormunda Chemistry Central Journal 2013, 7:41 (27 February 2013)

Abstract | Full text | PDF | PubMed

12.

925
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

13.

923
Accesses

Research article   Open Access Highly Accessed

A combined 3D-QSAR and docking studies for the In-silico prediction of HIV-protease inhibitors

Zaheer Ul-Haq, Saman Usmani, Hina Shamshad, Uzma Mahmood, Sobia Halim Chemistry Central Journal 2013, 7:88 (17 May 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

14.

872
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

15.

868
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

16.

831
Accesses

Research article   Open Access

Potent anticancer activity of cystine-based dipeptides and their interaction with serum albumins

Biswadip Banerji, Sumit Pramanik, Uttam Pal, Nakul Maiti Chemistry Central Journal 2013, 7:91 (24 May 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

17.

802
Accesses

Research article   Open Access

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 | Full text | PDF | PubMed | Graphical abstract

18.

788
Accesses

Research article   Open Access Highly Accessed

Mechanistic study of a diazo dye degradation by Soybean Peroxidase

Umme Kalsoom, Syed Ashraf, Mohammed A Meetani, Muhammad A Rauf, Haq Bhatti Chemistry Central Journal 2013, 7:93 (27 May 2013)

Abstract | Full text | PDF | ePUB | PubMed

19.

743
Accesses

Research article   Open Access

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

20.

726
Accesses

Research article   Open Access

Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains

Qi-Shi Du, Qing-Yan Wang, Li-Qin Du, Dong Chen, Ri-Bo Huang Chemistry Central Journal 2013, 7:92 (25 May 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

21.

667
Accesses

Review   Open Access Highly Accessed

Quinazoline derivatives: synthesis and bioactivities

Dan Wang, Feng Gao Chemistry Central Journal 2013, 7:95 (3 June 2013)

Abstract | Full text | PDF | PubMed

22.

714
Accesses

Review   Open Access Highly Accessed

A critical study on efficiency of different materials for fluoride removal from aqueous media

Vaishali Tomar, Dinesh Kumar Chemistry Central Journal 2013, 7:51 (13 March 2013)

Abstract | Full text | PDF | ePUB | PubMed |  Editor’s summary | Graphical abstract

Fluoride is a persistent and non-biodegradable pollutant that accumulates in soil, plants, wildlife and in human beings. This review surveys the efficacy of different materials for the removal of fluoride from water

23.

627
Accesses

Book report   Open Access

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

24.

660
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

25.

624
Accesses

Research article   Open Access

Bioactive compounds and antioxidant activity of Rosa canina L. biotypes from spontaneous flora of Transylvania

Ioana Roman, Andreea Stănilă, Sorin Stănilă Chemistry Central Journal 2013, 7:73 (23 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

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