OpenMolGRID: Using automated workflows in GRID computing environment

Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Quantitative Structure Activity/Property Relationship (QSAR/QSPR) model development is a complex and time-consuming procedure involving data gathering and preparation. It plays an important role in the drug discovery pipeline, which still is mostly done manually. The current paper describes the automated workflow support of the OpenMolGRID system and provides a case study for the automation of the QSPR model development process in the Grid.

Original languageEnglish
Title of host publicationLecture Notes in Computer Science
EditorsP.M.A. Sloot, A.G. Hoekstra, T. Priol, A. Reinefeld, M. Bubak
Pages464-473
Number of pages10
Volume3470
Publication statusPublished - 2005
EventEuropean Grid Conference on Advances in Grid Computing - EGC 2005 - Amsterdam, Netherlands
Duration: Feb 14 2005Feb 16 2005

Other

OtherEuropean Grid Conference on Advances in Grid Computing - EGC 2005
CountryNetherlands
CityAmsterdam
Period2/14/052/16/05

ASJC Scopus subject areas

  • Computer Science (miscellaneous)

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