Title: Representation and use of Chemistry in the Global Electronic Age
Authors: Murray-Rust, Peter
Rzepa, Henry S
Tyrrell, Simon M
Zhang, Yong
Keywords: molecular informatics
CML
open access
BOAI
information extraction
high-throughput computation
Issue Date: 30-Sep-2004
Abstract: We present an overview of the current state of public semantic chemistry and propose new approaches at a strategic and a detailed level. We show by example how a model for a chemical semantic web can be constructed using machine-processed data and information from journal articles.
Description: This manuscript addresses questions of robotic access to data and its automatic re-use, including the role of Open Access archival of data. This is a pre-refereed preprint allowed by the publisher's (Royal Soc. Chemistry) Green policy.<br/> The author's preferred manuscript is an HTML hyperdocument with ca. 20 links to images, some of which are JPEgs and some of which are SVG (scalable vector graphics) including animations. There are also links to molecules in CML, for which the Jmol viewer is recommended. We susgeest that readers who wish to see the full glory of the manuscript, download the Zipped version and unpack on their machine. <br/> We also supply a PDF and DOC (Word) version which obviously cannot show the animations, but which may be the best palce to start, particularly for those more interested in the text.
URI: http://www.dspace.cam.ac.uk/handle/1810/741
ISSN: Org. Biomol. Chem., 2004, DOI: 10.1039/B410732B
Appears in Collections:Scholarly Works - Unilever Centre for Molecular Informatics

Files in This Item:

File Description SizeFormat
index.htmlmain article in HTML (hyperlinked to other files). 75.43 kBHTMLView/Open
Figure1.jpgincluded JPG78.47 kBJPEGThumbnail
View/Open
figure1.htmlfigure1794 BHTMLView/Open
figure11.htmlfigure111.99 kBHTMLView/Open
article.pdfMain article in pdf1.35 MBAdobe PDFThumbnail
View/Open
article.docMain article in Microsoft Word format215.5 kBMicrosoft WordView/Open
B410732B1.zipFull html and supporting files2.66 MBZIPView/Open
Additional resources for this item
search for alternative versions in eresources@cambridge
retrieve citation metadata in EndNote format

This item has been accessed 2508 times.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.