April 2005
Intermediate to advanced
174 pages
3h 47m
English
book
Grid Computing in Research and Education
by Luis Ferreira, Fabiano Lucchese, Tomoari Yasuda, Chin Yau Lee, Carlos Alexandre Queiroz, Elton Minetto, Antonio Saverio Rincon Mungioli
Content preview from Grid Computing in Research and Education
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Chapter 6. Computer-Aided Drug Discovery 59
Lack of automation
The need for a large computer resource to efficiently perform model
generation
The development of validated and predictive QSAR models can require building
thousands of models per dataset. Assuming that a 100 compound dataset
requires about 10 minutes to generate a model on a single CPU, and that
frequently about 10,000 models need to be built, that equates to more than 76
days to complete the task.
6.2 Case analysis
In this section, we analyze how a grid computing solution may be built to tackle
the CADD problem described in the previous section.
6.2.1 Requirements
This section describes the functional and non-functional technical requirements
for the proposed solution.
Functional ...
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