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1.
2690 Accesses
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JSME: a free molecule editor in JavaScript
Bruno Bienfait, Peter Ertl Journal of Cheminformatics 2013, 5:24 (21 May 2013)
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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.
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2.
1509 Accesses
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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)
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3.
1510 Accesses
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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)
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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.
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4.
1239 Accesses
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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)
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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
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5.
1142 Accesses
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Editorial
Munishwar N Gupta Sustainable Chemical Processes 2013, 1:1 (22 May 2013)
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6.
1023 Accesses
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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)
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7.
1000 Accesses
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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)
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8.
979 Accesses
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Toward a general theory of evolution: Extending Darwinian theory to inanimate matter
Addy Pross Journal of Systems Chemistry 2011, 2:1 (7 June 2011)
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9.
944 Accesses
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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)
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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.
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10.
964 Accesses
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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)
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11.
955 Accesses
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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)
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12.
925 Accesses
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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)
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13.
923 Accesses
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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)
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14.
872 Accesses
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Evaluation of Biologically Active Compounds from Calendula officinalis Flowers using Spectrophotometry
Monica Butnariu, Cristina Coradini Chemistry Central Journal 2012, 6:35 (27 April 2012)
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15.
868 Accesses
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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)
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16.
831 Accesses
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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)
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17.
802 Accesses
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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)
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18.
788 Accesses
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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)
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19.
743 Accesses
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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)
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20.
726 Accesses
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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)
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21.
667 Accesses
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Quinazoline derivatives: synthesis and bioactivities
Dan Wang, Feng Gao Chemistry Central Journal 2013, 7:95 (3 June 2013)
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22.
714 Accesses
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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)
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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
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23.
627 Accesses
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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)
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24.
660 Accesses
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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)
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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
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25.
624 Accesses
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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)
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