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76.
3282 Accesses
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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)
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77.
3275 Accesses
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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)
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78.
3269 Accesses
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Open access and open source in chemistry
Matthew H Todd Chemistry Central Journal 2007, 1:3 (19 February 2007)
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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.
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79.
3251 Accesses
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The Effect of the CO3
2- to Ca2+ Ion activity ratio on calcite precipitation kinetics and Sr2+ partitioning
Tsigabu A Gebrehiwet, George D Redden, Yoshiko Fujita, Mikala S Beig, Robert W Smith Geochemical Transactions 2012, 13:1 (26 January 2012)
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80.
3243 Accesses
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The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age
Sam Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus D Hanwell, Peter Murray-Rust, Paul Sherwood, Jens Thomas, Joe Townsend Journal of Cheminformatics 2011, 3:38 (14 October 2011)
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81.
3242 Accesses
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The PubChem chemical structure sketcher
Wolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2009, 1:20 (17 December 2009)
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82.
3239 Accesses
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A disposable biosensor based on immobilization of laccase with silica spheres on the MWCNTs-doped screen-printed electrode
Yuanting Li, Li Zhang, Meng Li, Zhigang Pan, Dawei Li Chemistry Central Journal 2012, 6:103 (17 September 2012)
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A novel biosensor constructed by immobilizing laccase with silica spheres on MWCNT-doped screen-printed electrodes could detect dopamine in a rapid, selective and sensitive way. This approach offers the potential to create biosensors without using cross-linking reagents.
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83.
3227 Accesses
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Salicylic acid functionalized silica-coated magnetite nanoparticles for solid phase extraction and preconcentration of some heavy metal ions from various real samples
M Reza Shishehbore, Abbas Afkhami, Hasan Bagheri Chemistry Central Journal 2011, 5:41 (15 July 2011)
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84.
3190 Accesses
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Ozone oxidation of antidepressants in wastewater –Treatment evaluation and characterization of new by-products by LC-QToFMS
André Lajeunesse, Mireille Blais, Benoît Barbeau, Sébastien Sauvé, Christian Gagnon Chemistry Central Journal 2013, 7:15 (25 January 2013)
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The fate of 14 antidepressant drugs was examined in wastewater from a primary sewage treatment plant. It was found that ozonation of the effluent led to higher removal efficiencies than current primary treatment methods
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85.
3183 Accesses
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Building an R&D chemical registration system
Elyette Martin, Aurélien Monge, Jacques-Antoine Duret, Federico Gualandi, Manuel C Peitsch, Pavel Pospisil Journal of Cheminformatics 2012, 4:11 (31 May 2012)
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86.
3162 Accesses
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Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI
Noel M O’Boyle Journal of Cheminformatics 2012, 4:22 (18 September 2012)
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87.
3142 Accesses
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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)
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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.
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88.
3130 Accesses
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The eightfold path to non-enzymatic RNA replication
Jack W Szostak Journal of Systems Chemistry 2012, 3:2 (3 February 2012)
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Editor’s summary
The original RNA World model is based on the concept of an RNA replicase. However, non-enzymatic RNA replication overcomes some of the problems with this model, and recent findings suggesting that this may have been possible are discussed in this Perspective
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89.
3121 Accesses
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Study of the betulin enriched birch bark extracts effects on human carcinoma cells and ear inflammation
Cristina A Dehelean, Codruţa Şoica, Ionuţ Ledeţi, Mihaela Aluaş, Istvan Zupko, Atena Gǎluşcan, Simona Cinta-Pinzaru, Melania Munteanu Chemistry Central Journal 2012, 6:137 (19 November 2012)
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90.
3108 Accesses
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chemf: A purely functional chemistry toolkit
Stefan Höck, Rainer Riedl Journal of Cheminformatics 2012, 4:38 (20 December 2012)
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91.
3083 Accesses
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Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation
Yuxin Wu, Jonathan B Ajo-Franklin, Nicolas Spycher, Susan S Hubbard, Guoxiang Zhang, Kenneth H Williams, Joanna Taylor, Yoshiko Fujita, Robert Smith Geochemical Transactions 2011, 12:7 (23 September 2011)
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92.
3056 Accesses
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Stress degradation studies and development of stability-indicating TLC-densitometry method for determination of prednisolone acetate and chloramphenicol in their individual and combined pharmaceutical formulations
Syed Musharraf, Urooj Fatima, Rahat Sultana Chemistry Central Journal 2012, 6:7 (22 January 2012)
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93.
3056 Accesses
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Software platform virtualization in chemistry research and university teaching
Tobias Kind, Tim Leamy, Julie A Leary, Oliver Fiehn Journal of Cheminformatics 2009, 1:18 (16 November 2009)
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94.
2999 Accesses
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Determination of stanozolol and 3′-hydroxystanozolol in rat hair, urine and serum using liquid chromatography tandem mass spectrometry
Nawed IK Deshmukh, Gergely Zachar, Andrea Petróczi, Andrea D Székely, James Barker, Declan P Naughton Chemistry Central Journal 2012, 6:162 (22 December 2012)
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Editor’s summary
Stanozolol is an anabolic steroid, commonly misused by athletes during preparation for competition. A new sensitive, specific and reproducible method to determine the stanozolol in hair, urine and serum has been developed, which could be extended for doping testing.
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95.
2991 Accesses
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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)
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96.
2980 Accesses
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Selective Iron(III) ion uptake using CuO-TiO2 nanostructure by inductively coupled plasma-optical emission spectrometry
Mohammed M Rahman, Sher Bahadar Khan, Hadi M Marwani, Abdullah M Asiri, Khalid A Alamry Chemistry Central Journal 2012, 6:158 (17 December 2012)
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97.
2969 Accesses
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In-silico predictive mutagenicity model generation using supervised learning approaches
Abhik Seal, Anurag Passi, UC Abdul Jaleel, Open Source Drug Discovery Consortium, David J Wild Journal of Cheminformatics 2012, 4:10 (15 May 2012)
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98.
2950 Accesses
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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)
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99.
2946 Accesses
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Fast responsive, optical trace level ammonia sensor for environmental monitoring
Tobias Abel, Birgit Ungerböck, Ingo Klimant, Torsten Mayr Chemistry Central Journal 2012, 6:124 (26 October 2012)
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A fast responsive, optical trace level ammonia sensor that is effective at concentrations as low as 1 ppb has been developed. The sensor could have applications in aquatic environments where ammonia is particularly toxic to fish.
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