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This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
This article is part of a Supplement: Volume 4 Supplement 1
Recent years have seen an explosion in the availability of data in the chemistry domain. With this information explosion, however, retrieving relevant results from the available information, and organising those ...
Analyzing chemical datasets is a challenging task for scientific researchers in the field of chemoinformatics. It is important, yet difficult to understand the relationship between the structure of chemical co...
Systems chemical biology and chemogenomics are considered critical, integrative disciplines in modern biomedical research, but require data mining of large, integrated, heterogeneous datasets from chemistry an...
One of the largest challenges in chemistry today remains that of efficiently mining through vast amounts of data in order to elucidate the chemical structure for an unknown compound. The elucidated candidate c...
The current chemical space of known small molecules is estimated to exceed 1060 structures. Though the largest physical compound repositories contain only a few tens of millions of unique compounds, virtual scree...
Representations of chemical datasets in spreadsheet format are important for ready data assimilation and manipulation. In addition to the normal spreadsheet facilities, chemical spreadsheets need to have visua...
The mechanism of phospholipidosis is still not well understood. Numerous different mechanisms have been proposed, varying from direct inhibition of the breakdown of phospholipids to the binding of a drug compo...
The use of SharePoint® collaboration software for content management has become a critical part of today's drug discovery process. SharePoint 2010 software has laid a foundation which enables researchers to colla...
The computational processing and analysis of small molecules is at heart of cheminformatics and structural bioinformatics and their application in e.g. metabolomics or drug discovery. Pipelining or workflow to...
MyChemise (My Chemical Structure Editor) is a new 2D structure editor. It is designed as a Java applet that enables the direct creation of structures in the Internet using a web browser. MyChemise saves files ...
A significant portion of the biomedical and chemical literature refers to small molecules. The accurate identification and annotation of compound name that are relevant to the topic of the given literature can...
In drug discovery, a positive Ames test for bacterial mutation presents a significant hurdle to advancing a drug to clinical trials. In a previous paper, we discussed success in predicting the genotoxicity of ...
Quantitative structure-activity relationships (QSAR) analysis of peptides is helpful for designing various types of drugs such as kinase inhibitor or antigen. Capturing various properties of peptides is essent...
The Elk-1 transcription factor is a member of a group of proteins called ternary complex factors, which serve as a paradigm for gene regulation in response to extracellular signals. Its deregulation has been l...
The concept of Open Bibliography in science, technology and medicine (STM) is introduced as a combination of Open Source tools, Open specifications and Open bibliographic data. An Openly searchable and navigab...
The advent of open access to peer reviewed scholarly literature in the biomedical sciences creates the opening to examine scholarship in general, and chemistry in particular, to see where and how novel forms o...
