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. © Springer-Verlag Berlin Heidelberg 2005.
Cite
CITATION STYLE
Sild, S., Maran, U., Romberg, M., Schuller, B., & Benfenati, E. (2005). OpenMolGRID: Using automated workflows in GRID computing environment. In Lecture Notes in Computer Science (Vol. 3470, pp. 464–473). Springer Verlag. https://doi.org/10.1007/11508380_48
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