Chemistry Central Blog
Most accessed articles in January
Take a look at our ten most accessed papers for January.
The most accessed article last month describes the implementation of a “Chemically Aware” system to supplement the content management program, SharePoint. The system allows users to tag documents by drawing a structure and associating it with the related content. It also allows the user to search SharePoint software content and internal/external databases by carrying out substructure, similarity, SMILES, and IUPAC name searches.
The papers on the Open Babel toolkit and the CDK-Taverna project also remain well accessed – these are both important open source initiatives, and their continued popularity highlights the advantages of ‘openness’ in chemistry.
1. Making SharePoint(R) Chemically Aware(TM)
Kartik Tallapragada, Joseph Chewning, David Kombo, Beverly Ludwick
Journal of Cheminformatics 2012, 4:1 (12 January 2012)
2. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
3. Predicting the mechanism of phospholipidosis
Robert Lowe, Hamse Y Mussa, Florian Nigsch, et al.
Journal of Cheminformatics 2012, 4:2 (26 January 2012)
4. Open Babel: An open chemical toolbox
Noel M O'Boyle, Michael Banck, Craig A James, et al.
Journal of Cheminformatics 2011, 3:33 (7 October 2011)
5. New developments on the cheminformatics open workflow environment CDK-Taverna
Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, et al.
Journal of Cheminformatics 2011, 3:54 (13 December 2011)
6. IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface
Yin Sun, Yan Huang, Feng Li, et al.
Chemistry Central Journal 2012, 6:2 (5 January 2012)
7. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, et al.
Journal of Cheminformatics 2011, 3:37 (14 October 2011)
8. 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)
9. 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)
10. Tracking antioxidant properties and color changes in low-sugar bilberry jam as effect of processing, storage and pectin concentration
Mariana-Atena Poiana, Ersilia Alexa, Constantin Mateescu
Chemistry Central Journal 2012, 6:4 (16 January 2012)
Posted by Bailey Fallon at 14:57 Comments (0)
Open Knowledge Foundation launches Panton Fellowships
The Open Knowledge Foundation has announced the launch of the Panton Fellowships. These will be awarded to scientists who actively promote open data in science, and who endorse the Panton Principles for making scientific data open.
The Panton Principles are a set of recommendations that address how best to make published data from scientific studies available for re-use, following the belief that “open data means better science”. The first draft of the Panton Principles was written in July 2009 by Peter Murray-Rust (part of the Journal of Cheminformatics Editorial Board), Cameron Neylon, Rufus Pollock and John Wilbanks, and was officially adopted in February 2010. The lack of a definition of 'open' was identified by the Blue Obelisk movement as a considerable stumbling block in advocating the release of scientific data as 'open data' but the launch of the Panton Principles provided a major step forward.
Panton Fellows will receive £8000 per annum to promote the concept of open data in science, and will be encouraged to explore practical solutions for making data open, facilitate discussions about the value of openness, and catalyse the open community.
Posted by Bailey Fallon at 16:29 Comments (0)
Journal of Cheminformatics accepted for Impact Factor tracking
We are pleased to announce that Journal of Cheminformatics has been accepted for tracking by Thomson Reuters and is expected to receive its first Impact Factor later this year.
This development comes after an exciting year in which the journal published its first thematic series of papers covering PubChem3D, RDF Technologies in Chemistry, and the Visions of a Semantic Molecular Future symposium, along with high profile articles on important cheminformatics tools, such as Open Babel and CDK-Taverna.
The journal’s standing in its field can be seen in the 2011 SCImago Journal Rank, which places it 4th out of 194 journals in the computer science applications category. Now that it has been accepted for Impact Factor tracking, we look forward to seeing even more growth and development over the coming years and we would like to thank our editors, authors and reviewers for their help in establishing Journal of Cheminformatics as a leading open access publication.
Posted by Bailey Fallon at 15:12 Comments (4)
Chemistry of Ageing: New thematic series for Chemistry Central Journal
We are pleased to announce a new thematic series for Chemistry Central Journal covering the Chemistry of Ageing.
Gerontology has traditionally been dominated by biological research groups. In recent years, the potential impact of chemical analysis and small molecule interventions has become widely recognised, and there are now a growing number of chemists undertaking ageing research. Research into ageing spans the full range chemistry. Advanced analytical and physical techniques are being used to observe age-related changes in living organisms. Equally, novel synthetic and medicinal chemistry is generating small molecule tools for the dissection of complex biological pathways, as well as potential life- and health-span extending therapeutics.
This thematic series, edited by Elizabeth Ostler from the University of Brighton, will cover:
- Glycation, oxidative stress and other degenerative processes
- Cellular senescence; mechanistic dissection and interventions
- Telomerase inhibitors and activators
- Small molecules with life-extending activity such as resveratrol and rapamycin
- Novel methods for mining complex cohort and life-course data
The first article in the series has already been published. In this study, Mark Bagley and colleagues at Cardiff University synthesised two diaminopyridine-based JNK inhibitors, and tested their effects on the proliferation and morphology of Werner syndrome fibroblasts in comparison to the widely used JNK inhibitor SP600125.
We welcome your contributions to this thematic series, and if you are interested in submitting a paper then please feel free to contact us for further information.
Posted by Bailey Fallon at 14:55 Comments (0)
Most accessed articles in December
Take a look at our ten most accessed papers for December.
The most popular article last month was published in Journal of Cheminformatics and covers new developments in the CDK-Taverna project. The CDK-Taverna project aims at building a free open-source cheminformatics pipelining solution through a combination of different open-source projects, and it recently migrated to the most up-to-date versions of its foundational software libraries with a complete re-engineering of its worker's architecture.
The most popular Chemistry Central Journal article last month was a study into the role of various forms of resveratrol in cancer proliferation. Resveratrol is a component of red wine that has been associated with various health benefits, and this paper compared the anti-proliferative effects of three isomers of resveratrol.
And the first publication reporting the features, implementation and validation of the open source toolkit Open Babel also continues to be very popular. 1. New developments on the cheminformatics open workflow environment CDK-Taverna
Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, et al.
Journal of Cheminformatics 2011, 3:54 (13 December 2011)
2. Trans-, cis-, and dihydro-resveratrol: a comparative study
Natalia YU. Anisimova, Mikhail V. Kiselevsky, et al.
Chemistry Central Journal 2011, 5:88 (20 December 2011)3. Open Babel: An open chemical toolbox
Noel M O'Boyle, Michael Banck, Craig A James, et al.
Journal of Cheminformatics 2011, 3:33 (7 October 2011)
4. MyChemise: A 2D drawing program that uses morphing for visualisation purposes
Jorg-Hubertus Wilhelm
Journal of Cheminformatics 2011, 3:53 (12 December 2011)5. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)6. 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)7. Molecular structure input on the web
Peter Ertl
Journal of Cheminformatics 2010, 2:1 (2 February 2010)
8. A highly efficient green synthesis of 1, 8-dioxo-octahydroxanthenes
Andivelu Ilangovan, Subramani Malayappasamy, Samraj Muralidharan, Sundaram Maruthamuthu
Chemistry Central Journal 2011, 5:81 (8 December 2011)
9. Development of validated stability-indicating chromatographic method for the determination of fexofenadine hydrochloride and its related impurities in pharmaceutical tablets
Hadir M Maher, Maha A Sultan, Ileana V Olah
Chemistry Central Journal 2011, 5:76 (3 December 2011)
10. Polyphosphates as a source of enhanced P fluxes in marine sediments overlain by anoxic waters: Evidence from 31P NMR
Poulomi Sannigrahi, Ellery Ingall
Geochemical Transactions 2005, 6:52 (22 June 2005)
Posted by Bailey Fallon at 16:34 Comments (0)
New design for Chemistry Central
The Chemistry Central website has been updated with a new design, providing a clean and uncluttered look to take into account feedback from editors, authors, readers and reviewers.
In addition to the Chemistry Central portal, Chemistry Central Journal, Journal of Cheminformatics and Geochemical Transactions have also moved to the new design.
We encourage you to review and update your details and alert preferences, and explore the new site. Your feedback will help us further improve the new site's usability and usefulness. Key features include:
- A revamped homepage showcasing the most recent and popular published research including “Editor’s picks”
- My Chemistry Central – see the latest articles in your subject areas, and easily manage email preferences and stored searches
- My manuscripts – much improved display of the status of all your submitted/published manuscripts, and any that you are currently reviewing or have reviewed
- Institutional Member pages – these show all articles from a Member institution and an RSS feed makes it easy to stay up to date
- Advanced search – additional options for selecting and downloading search results
- Information pages – fully searchable, and with much simplified navigation, these pages tell you all you need to know about Chemistry Central
- Integrated blog and twitter feed – allowing you to keep up to date and in touch with Chemistry Central social media channels
- Expanded funding information pages allowing you to keep up with all the latest open access policy and funding news
- Detailed conference calendar – to keep track of the events that Chemistry Central will be attending in the coming year.
The new site is built on a modern technology platform that will serve as a solid foundation for many additional improvements which we plan to roll out in the coming months. We hope you like the new website, and look forward to receiving your feedback.
Posted by Bailey Fallon at 17:18 Comments (0)
A dramatic phenomenon in which light triggers the sudden rupture of fatty acid vesicles has been observed in a primitive cell membrane model. The findings, published by Nobel Laureate Jack Szostak et al. in Journal of Systems Chemistry, could lead to applications such as targeted drug delivery, and the controlled deposition of functionalized nanoparticles in microfluidic devices.
Fatty acid vesicles are commonly used as models of primitive cell membranes in studies of abiogenesis. While studying large dye-containing oleate vesicles, the authors found that exposure to intense illumination caused them to suddenly explode, releasing their encapsulated dye along with smaller internal vesicles. They propose a mechanism in which reactive oxygen species (ROS) are generated from the dye upon illumination. These ROS oxidize the internal buffer, leading to an increase in internal osmotic pressure, and ultimately, vesicle rupture.
This unexpected phenomenon could have a number of practical applications, including its use in cancer therapy. “A major question in treating cancer is how to localize the release of cytotoxic drugs to target tumors, thus reducing systemic toxicity” explains Szostak. “By delivering a drug such as a chemotherapeutic agent through photoactivation, exploding vesicles may be used to localize drug release and strengthen the effectiveness of cancer treatments.”
Posted by Bailey Fallon at 15:04 Comments (0)
Most accessed articles in November
Take a look at our ten most accessed papers for November.
Our most popular paper last month was a Commentary by Sharon Haynie et al., published as part of the Women in Chemistry thematic series in Chemistry Central Journal. One of the goals of the International Year of Chemistry, which has been taking place over the past year, has been to celebrate the achievements of women in science. This Commentary recognizes these achievements by describing the personal journeys of six women pursuing careers in chemistry
1. Reflections on the journey: six short stories
Sharon L Haynie, Amber S Hinkle, Nancy L Jones, et al.
Chemistry Central Journal 2011, 5:69 (7 November 2011)
2. Correlation between Fischer-Tropsch catalytic activity and composition of catalysts
Sardar Ali, Noor Mohd Zabidi, Duvvuri Subbarao
Chemistry Central Journal 2011, 5:68 (3 November 2011)
3. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
4. Open Babel: An open chemical toolbox
Noel M O'Boyle, Michael Banck, Craig A James, et al.
Journal of Cheminformatics 2011, 3:33 (7 October 2011)
5. 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)
6. Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain
Abrar Hussain, Peter E Shaw, Jonathan D Hirst
Journal of Cheminformatics 2011, 3:49 (1 November 2011)
7. Synthesis and characterization of novel 2,2'-bipyrimidine fluorescent derivative for protein binding
Vikas S. Padalkar, Vikas S. Patil, N. Sekar
Chemistry Central Journal 2011, 5:72 (9 November 2011)
8. 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)
9. Hydrolysis optimization and characterization study of preparing fatty acids from Jatropha curcas seed oil
Jumat Salimon, Bashar Abdullah, Nadia Salih
Chemistry Central Journal 2011, 5:67 (1 November 2011)
10. Detection of stanozolol in environmental waters using liquid chromatography tandem mass spectrometry
Nawed IK Deshmukh, James Barker, Andrea Petroczi, Declan P Naughton
Chemistry Central Journal 2011, 5:63 (14 October 2011)
Posted by Bailey Fallon at 14:42 Comments (0)
Most accessed articles in October
Take a look at our ten most accessed papers for October.
Six of the top ten papers cover various forms of ‘openness’ in science, with topics including open access (see Openness as infrastructure), open bibliography (see Open Bibliography for Science, Technology, and Medicine) and open source software (see Open Babel: An open chemical toolbox). Many of these papers were published as part of the ‘Visions of a Semantic Future’ thematic series in Journal of Cheminformatics, which looks at the application of semantic technologies to molecular science, and how this will change the way science is published in the future.
It is encouraging to see that the most popular articles in the last month are those that look at publishing science openly, as this ties in with our view that open access to research is essential to ensure the rapid and efficient communication of research findings.
1. Openness as infrastructure
John Wilbanks
Journal of Cheminformatics 2011, 3:36 (14 October 2011)
2. Linked open drug data for pharmaceutical research and development
Matthias Samwald, Anja Jentzsch, Christopher Bouton, et al.
Journal of Cheminformatics 2011, 3:19 (16 May 2011)3. Open Babel: An open chemical toolbox
Noel M O'Boyle, Michael Banck, Craig A James, et al.
Journal of Cheminformatics 2011, 3:33 (7 October 2011)
4. Open Bibliography for Science, Technology, and Medicine
Richard Jones, Mark MacGillivray, Peter Murray-Rust, et al.
Journal of Cheminformatics 2011, 3:47 (14 October 2011)5. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, et al.
Journal of Cheminformatics 2011, 3:37 (14 October 2011)
6. Semantic science and its communication - a personal view
Peter Murray-Rust
Journal of Cheminformatics 2011, 3:48 (14 October 2011)7. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
8. Detection of stanozolol in environmental waters using liquid chromatography tandem mass spectrometry
Nawed I K Deshmukh, James Barker, Andrea Petroczi, Declan P Naughton
Chemistry Central Journal 2011, 5:63 (14 October 2011)
9. CML: Evolution and Design
Peter Murray-Rust, Henry S Rzepa
Journal of Cheminformatics 2011, 3:44 (14 October 2011)10. 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)
Posted by Bailey Fallon at 15:26 Comments (0)
Visions of a semantic molecular future
Journal of Cheminformatics has just published its latest thematic series – Visions of a Semantic Molecular Future. The series of papers originates from a symposium held earlier this year to celebrate the career of Peter Murray-Rust, Reader at the Unilever Centre for Molecular Science Informatics, University of Cambridge, and a strong advocate of open access and open data. With contributions from several of the speakers, as well as members of the Murray-Rust group, the papers address the application of semantic technologies to molecular science, and look at where we might be heading in the future.
Amonst the many notable contributions in the series is the article on ‘Open Bibliography for Science, Technology, and medicine’. It presents BibJSON, a simple structured text data format suitable for serialisation and storage of large quantities of bibliographic data, and encourages the development of improved methods of processing the wealth of information and knowledge embedded in bibliographic data. In the interests of embracing the technologies that the article describes we have chosen on this occasion to publish it in HTML format only. Presenting it as a PDF would have meant losing the proper context of the original document and reducing the impact of the research.
Another key paper describes the work carried out by the Blue Obelisk movement over the last five years, with a discussion of the current progress and future challenges in Open Data, Open Standards, and Open Source in chemistry.
In addition to the papers that describe the various software and tools that are being used as part of the growing Semantic Web, several commentary-type articles by Henry Rzepa, Cameron Neylon, John Wilbanks and Dan Zaharevitz provide a much broader look at scholarly publishing. They reach similar conclusions about the benefits of openness and should be of interest not only to the cheminformatics community, but to those working in all areas of science.
Posted by Bailey Fallon at 17:16 Comments (0)
Open Babel paper published in Journal of Cheminformatics
Open Babel is an open source chemical toolbox that interconverts over 110 chemical data formats. After almost 10 years as an independent project, the first paper describing the features and implementation of Open Babel has now been published in Journal of Cheminformatics.
A common problem that arises in computational modeling is the need to convert between different chemical structure formats. Open Babel offers a solution to this problem by allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. It supports a wide range of formats – over 110 in total – which include common structure representations (such as SMILES or InChI), crystallographic formats (eg. CIF), file formats used by molecular dynamics and docking packages (eg. AutoDock), and formats used by 2D drawing packages (such as ChemDraw).
The new publication by Geoffrey Hutchison et al. describes the development of the Open Babel project, and discusses the frameworks for file format interconversion, fingerprinting, fast molecular searching, bond perception and atom typing, canonical numbering of molecular structures and fragments, molecular mechanics force fields, and the extensible interfaces provided by the software library to enable further chemistry software development.
While this is the first publication describing Open Babel, the software has already been downloaded 164,000 times and received over 400 citations, showing just how important it has become.
Posted by Bailey Fallon at 15:03 Comments (0)
Most accessed articles in September
Take a look at our ten most accessed articles for September.
The majority of the highly accessed articles last month were published in Journal of Cheminformatics, and include Shoba Ranganathan’s comparative analysis of pharmaceutically relevant datasets, as well as the most recent article by Evan Bolton and colleagues in the PubChem3D thematic series.
The most popular Chemistry Central Journal articles in September include two reviews published as part of the Peptide chemistry and medicinal application thematic series. These cover peptide synthesis methods using water instead of organic solvents, and recent experimental studies directed to the development of multiple antigen-presenting peptide vaccine systems.
1. Structural diversity of biologically interesting datasets: a scaffold analysis approach
Varun Khanna, Shoba Ranganathan
Journal of Cheminformatics 2011, 3:30 (8 August 2011)
2. Statistical filtering for NMR based structure generation
Jochen Junker
Journal of Cheminformatics 2011, 3:31 (11 August 2011)
3. Multiple search methods for similarity-based virtual screening: Analysis of search overlap and precision
John D Holliday, Evangelos Kanoulas, Nurul Malim, Peter Willett
Journal of Cheminformatics 2011, 3:29 (8 August 2011)
4. AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment
Jonna C Stålring, Lars A Carlsson, Pedro Almeida, Scott Boyer
Journal of Cheminformatics 2011, 3:28 (28 July 2011)
5. Development of a method for environmentally friendly chemical peptide synthesis in water using water-dispersible amino acid nanoparticles
Keiko Hojo, Asaki Hara, Hiroyuki Kitai, et al.
Chemistry Central Journal 2011, 5:49 (25 August 2011)
6. Current status of multiple antigen-presenting peptide vaccine systems: Application of organic and inorganic nanoparticles
Yoshio Fujita, Hiroaki Taguchi
Chemistry Central Journal 2011, 5:48 (23 August 2011)
7. 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)
8. 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)
9. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
10. PubChem3D: A new resource for scientists
Evan E Bolton, Jie Chen, Sunghwan Kim, et al.
Journal of Cheminformatics 2011, 3:32 (20 September 2011)
Posted by Bailey Fallon at 12:18 Comments (0)
Most accessed articles for August
Take a look at our ten most accessed papers for August.
The most read paper, published in Journal of Cheminformatics, involves a comparative analysis of several pharmaceutically relevant datasets.
Other popular papers over the last month include a Chemistry Central Journal article on the preparation and characterisation of a nanostructured TiO2 photocatalyst, as well as the most recent paper published in the PubChem3D thematic series by Evan Bolton and colleagues.1. Structural diversity of biologically interesting datasets: a scaffold analysis approach
Varun Khanna, Shoba Ranganathan
Journal of Cheminformatics 2011, 3:30 (8 August 2011)
2. Nanostructured AgBr loaded TiO2: An efficient sunlight active photocatalyst for degradation of Reactive Red 120
Rengasamy Velmurugan, Bojja Sreedhar, Meenakshisundaram Swaminathan
Chemistry Central Journal 2011, 5:46 (30 July 2011)3. AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment
Jonna C Stålring, Lars A Carlsson, Pedro Almeida, Scott Boyer
Journal of Cheminformatics 2011, 3:28 (28 July 2011)4. 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)
5. PubChem3D: Biologically relevant 3-D similarity
Sunghwan Kim, Evan E Bolton, Stephen H Bryant
Journal of Cheminformatics 2011, 3:26 (22 July 2011)6. Multiple search methods for similarity-based virtual screening: Analysis of search overlap and precision
John D Holliday, Evangelos Kanoulas, Nurul Malim, Peter Willett
Journal of Cheminformatics 2011, 3:29 (8 August 2011)7. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
8. Synthesis and crystal structures of 5'-phenylspiro[indoline-3, 2'-pyrrolidin]-2-one derivatives
Jeyaperumal Sundar, Stephen Rajesh, Jeyaraman Sivamani, et al.
Chemistry Central Journal 2011, 5:45 (26 July 2011)
9. An industry consensus study on an HPLC fluorescence method for the determination of (±)-catechin and (±)-epicatechin in cocoa products
Laura Shumow, Alison Bodor
Chemistry Central Journal 2011, 5:39 (5 July 2011)
10. Salicylic acid functionalized silica-coated magnetite nanoparticles for solid phase extraction and preconcentration of some heavy metal ions
M Reza Shishehbore, Abbas Afkhami, Hasan Bagheri
Chemistry Central Journal 2011, 5:41 (15 July 2011)
Posted by Bailey Fallon at 18:05 Comments (0)
Most accessed articles for July
Take a look at our ten most accessed papers for July.
Matthias Samwald’s paper on linked open drug data continues to be popular and has now become the most accessed paper published in Journal of Cheminformatics this year.
An article by Gang Chen about the synthesis of a series of N-substituted isatin derivatives with enhanced free radical scavenging properties was the most accessed article in Chemistry Central Journal last month. And Laura Shumow’s methodology describing the results of an HPLC study for the determination of (+/-)-catechin and (+/-)-epicatechin in cocoa and chocolate products was also noteworthy as it represents the first collaborative study using this method for these sorts of compounds.
1. Linked open drug data for pharmaceutical research and development
Matthias Samwald, Anja Jentzsch, Christopher Bouton, et al.
Journal of Cheminformatics 2011, 3:19 (16 May 2011)
2. 4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, Andreas Zell
Journal of Cheminformatics 2011, 3:23 (6 July 2011)
3. 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)
4. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics
CV Ramana, U Becker, V Shutthanandan, CM Julien
Geochemical Transactions 2008, 9:8 (5 June 2008)
5. Simple isatin derivatives as free radical scavengers: Synthesis, biological evaluation and structure-activity relationship
Gang Chen, Ye Wang, Xiaojiang Hao, et al.
Chemistry Central Journal 2011, 5:37 (1 July 2011)
6. Consistent two-dimensional visualization of protein-ligand complex series
Katrin Stierand, Matthias Rarey
Journal of Cheminformatics 2011, 3:21 (24 June 2011)
7. An industry consensus study on an HPLC fluorescence method for the determination of (+/-)-catechin and (+/-)-epicatechin in cocoa products
Laura Shumow, Alison Bodor
Chemistry Central Journal 2011, 5:39 (5 July 2011)
8. Amorphous calcium phosphate and its application in dentistry
Jie Zhao, Yu Liu, Wei-bin Sun, Hai Zhang
Chemistry Central Journal 2011, 5:40 (8 July 2011)
9. Data governance in predictive toxicology: A review
Xin Fu, Anna Wojak, Daniel Neagu, et al.
Journal of Cheminformatics 2011, 3:24 (13 July 2011)
10. Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, et al.
Chemistry Central Journal 2011, 5:5 (7 February 2011)
Chemistry Central Journal also announced its latest Impact Factor last week - an increase to 1.65.
Posted by Bailey Fallon at 16:58 Comments (0)