Literature DB >> 17602467

Web service infrastructure for chemoinformatics.

Xiao Dong1, Kevin E Gilbert, Rajarshi Guha, Randy Heiland, Jungkee Kim, Marlon E Pierce, Geoffrey C Fox, David J Wild.   

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.

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Year:  2007        PMID： 17602467     DOI： 10.1021/ci6004349

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN： 1549-9596            Impact factor:   4.956


  9 in total

1.  Towards interoperable and reproducible QSAR analyses: Exchange of datasets.

Authors:  Ola Spjuth; Egon L Willighagen; Rajarshi Guha; Martin Eklund; Jarl Es Wikberg
Journal:  J Cheminform       Date:  2010-06-30       Impact factor: 5.514

2.  Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data.

Authors:  Bin Chen; Xiao Dong; Dazhi Jiao; Huijun Wang; Qian Zhu; Ying Ding; David J Wild
Journal:  BMC Bioinformatics       Date:  2010-05-17       Impact factor: 3.169

3.  WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications.

Authors:  Qian Zhu; Michael S Lajiness; Ying Ding; David J Wild
Journal:  J Cheminform       Date:  2010-08-20       Impact factor: 5.514

4.  XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services.

Authors:  Johannes Wagener; Ola Spjuth; Egon L Willighagen; Jarl E S Wikberg
Journal:  BMC Bioinformatics       Date:  2009-09-04       Impact factor: 3.169

5.  Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.

Authors:  Noel M O'Boyle; Rajarshi Guha; Egon L Willighagen; Samuel E Adams; Jonathan Alvarsson; Jean-Claude Bradley; Igor V Filippov; Robert M Hanson; Marcus D Hanwell; Geoffrey R Hutchison; Craig A James; Nina Jeliazkova; Andrew Sid Lang; Karol M Langner; David C Lonie; Daniel M Lowe; Jérôme Pansanel; Dmitry Pavlov; Ola Spjuth; Christoph Steinbeck; Adam L Tenderholt; Kevin J Theisen; Peter Murray-Rust
Journal:  J Cheminform       Date:  2011-10-14       Impact factor: 5.514

6.  Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets.

Authors:  Alex M Clark; Krishna Dole; Anna Coulon-Spektor; Andrew McNutt; George Grass; Joel S Freundlich; Robert C Reynolds; Sean Ekins
Journal:  J Chem Inf Model       Date:  2015-06-03       Impact factor: 4.956

7.  A survey of quantitative descriptions of molecular structure.

Authors:  Rajarshi Guha; Egon Willighagen
Journal:  Curr Top Med Chem       Date:  2012       Impact factor: 3.295

8.  Userscripts for the life sciences.

Authors:  Egon L Willighagen; Noel M O'Boyle; Harini Gopalakrishnan; Dazhi Jiao; Rajarshi Guha; Christoph Steinbeck; David J Wild
Journal:  BMC Bioinformatics       Date:  2007-12-21       Impact factor: 3.169

9.  PubChemSR: a search and retrieval tool for PubChem.

Authors:  Junguk Hur; David J Wild
Journal:  Chem Cent J       Date:  2008-05-15       Impact factor: 4.215
  9 in total

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