Web Service Infrastructure for Chemoinformatics
- 29 June 2007
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Modeling
- Vol. 47 (4), 1303-1307
- https://doi.org/10.1021/ci6004349
Abstract
The vast increase of pertinent information available to drug discovery scientists means that there is a strong demand for tools and techniques for organizing and intelligently mining this information for manageable human consumption. At Indiana University, we have developed an infrastructure of chemoinformatics Web services that simplifies the access to this information and the computational techniques that can be applied to it. In this paper, we describe this infrastructure, give some examples of its use, and then discuss our plans to use it as a platform for chemoinformatics application development in the future.Keywords
This publication has 11 references indexed in Scilit:
- Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical ReactionsJournal of Chemical Information and Modeling, 2005
- Surrogate docking: structure-based virtual screening at high throughput speedJournal of Computer-Aided Molecular Design, 2005
- Web services in the life sciencesDrug Discovery Today, 2005
- Chemical documents: machine understanding and automated information extractionOrganic & Biomolecular Chemistry, 2004
- Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS AggregatorsJournal of Chemical Information and Computer Sciences, 2004
- Chemical Markup, XML, and the World Wide Web. 4. CML SchemaJournal of Chemical Information and Computer Sciences, 2003
- Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOMJournal of Chemical Information and Computer Sciences, 2001
- Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of TrustJournal of Chemical Information and Computer Sciences, 2001
- The Semantic WebScientific American, 2001
- Chemical Markup, XML, and the Worldwide Web. 1. Basic PrinciplesJournal of Chemical Information and Computer Sciences, 1999