Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.
http://jcheminf.springeropen.com/
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Journal of Cheminformatics | Home page | jcheminf.springeropen.com Reviews
https://jcheminf.springeropen.com
<p/><p>Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.</p>
jcheminf.springeropen.com
Grand challenges for cheminformatics | Journal of Cheminformatics | Full Text
http://jcheminf.springeropen.com/articles/10.1186/1758-2946-1-1
Skip to main content. Grand challenges for cheminformatics. Wild; licensee BioMed Central Ltd. 2009. So are we all about Library and Information Science or Computational Drug Discovery? Is our work theoretical or pragmatic? Are our "customers" biologists or chemists? Do we have an academic or industry focus? We identify four "grand challenge" areas that we think should be an important focus for cheminformatics. Overcoming stalled drug discovery. Green chemistry and global warming. Global warming and pres...
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform | Journal of Cheminformatics | Full Text
http://jcheminf.springeropen.com/articles/10.1186/1758-2946-4-17
Skip to main content. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Hanwell et al. licensee Chemistry Central Ltd. 2012. Many fields such as chemistry, materials science, physics, and biology, need efficient computer programs to both build and visualize molecular structures. The field of molecular graphics is dominated by viewers with little or no editing capabilities, such as RasMol [ 1. And XCrySDen [ 8. Materials Studio [ 15. And Spartan [ 16. Application was al...
Journal of Cheminformatics | About
http://jcheminf.springeropen.com/about
Skip to main content. Is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling. Coverage includes, but is not limited to:. Chemical information systems, software and databases, and molecular modelling. Chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases. Why publish your article in. Gives you the opportunity to publish large datasets...
ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files | Journal of Cheminformatics | Full Text
http://jcheminf.springeropen.com/articles/10.1186/s13321-016-0175-x
Skip to main content. ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files. View ORCID ID profile. And molecular inventory management [ 8. In this context, it is pertinent to mention the efforts by Rzepa and Peter Murray-Rust for developing tools to parse chemically relevant thesis and other published articles for harvesting analytical data [ 10. And chemical information systems [ 15. In a recent article, the importance of curation of large chemogenomics data set for buildin...
Utilizing maximal frequent itemsets and social network analysis for HIV data analysis | Journal of Cheminformatics | Full Text
http://jcheminf.springeropen.com/articles/10.1186/s13321-016-0184-9
Skip to main content. Utilizing maximal frequent itemsets and social network analysis for HIV data analysis. There are various attempts to keep the virus under control. Unfortunately, effective cure has not been found yet despite the efforts to fully understand how the disease advances and its causes [ 2. Inhibitors have been developed to keep it under control. Available medicines work as HIV-1 protease inhibitors [ 3. And GP [ 6. Encoding, it was noted in recent study by Rögnvaldsson et al. [ 13. Who us...
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JCHEM Design Limited Website Home Page
Welcome to JCHEM Design. Founded in 2005, JCHEM Design is a chemical engineering consultancy based in the North East of England, and offers consultancy in process evaluation and development, process design and in process modelling, based on over 35 years of experience in process design and R&D in the chemical industry. For examples of recent contracts, please visit the Case Studies page. Please don’t hesitate to get in contact. As part of our overall services package we are also developing our website to...
Chemical Education Xchange | Change through Xchange
Skip to main content. Hydrophobic vs. Hydrophilic, Polar vs. Non-polar. ChemEd X Call for Contributions. Precipitation reaction of sodium iodide and mercury(II) chloride. Electrolysis of silver nitrate. What Would NdT Do? ChemEd X Call for Contributions. Thu, 12/13/2012 - 13:39. Is requesting chemistry educators as well as others working in the discipline to submit ideas, articles, activities and laboratories for publication. Read more about ChemEd X Call for Contributions. Mon, 04/16/2012 - 19:55. Confe...
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Journal of Cheminformatics
Bottom,Top,Middle,Right1. My Journal of Cheminformatics. Christoph Steinbeck, European Bioinformatics Institute. David J Wild, Indiana University. There has been an error retrieving the data. Please try again. Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiers. Harvey MJ, Mason NJ, McLean A and Rzepa HS. 37 (8 August 2015). Synergy Maps: exploring compound combinations using network-based visualization. 36 (1 August 2015). 26 (22 June...
Journal of Cheminformatics | Home page
Skip to main content. Featured article: Large-scale ligand-based predictive modelling using support vector machines. In this research article,. Editorial Board Member Ola Spjuth and colleagues from Uppsala University investigated the effect of dataset sizes on predictive performance and modelling time by training ligand-based regression models on open datasets of varying sizes of up to 1.2 million chemical structures. ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files.
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The Foundation for Japanese Chemical Research. ホームページ開設日 2002.04.12. 最終更新日 2016.03.17. 創 設 大正１５ １９２６)年７月１５日. 設立者 眞島利行 当時 東北帝国大学理学部教授.
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