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Erschienen in:
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2017 | OriginalPaper | Buchkapitel

Congestion Game Scheduling Implementation for High-Throughput Virtual Drug Screening Using BOINC-Based Desktop Grid

verfasst von : Natalia Nikitina, Evgeny Ivashko, Andrei Tchernykh

Erschienen in: Parallel Computing Technologies

Verlag: Springer International Publishing

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Abstract

Virtual drug screening is one of the most common applications of high-throughput computing. As virtual screening is time consuming, a problem of obtaining a diverse set of hits in a short time is very important. We propose a mathematical model based on game theory. Task scheduling for virtual drug screening in high-performance computational systems is considered as a congestion game between computing nodes to find the equilibrium solutions for best balancing between the number of interim hits and their chemical diversity. We present the developed scheduling algorithm implementation for Desktop Grid and Enterprise Desktop Grid, and perform comprehensive computational experiments to evaluate its performance. We compare the algorithm with two known heuristics used in practice and observe that game-based scheduling outperforms them by the hits discovery rate and chemical diversity at earlier steps.

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Vorheriges Kapitel Parallel Calculation of Diameter Constrained Network Reliability
Nächstes Kapitel Globalizer – A Parallel Software System for Solving Global Optimization Problems
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Metadaten
Titel
Congestion Game Scheduling Implementation for High-Throughput Virtual Drug Screening Using BOINC-Based Desktop Grid
verfasst von
Natalia Nikitina
Evgeny Ivashko
Andrei Tchernykh
Copyright-Jahr
2017
Buch
Parallel Computing Technologies

Print ISBN: 978-3-319-62931-5

Electronic ISBN: 978-3-319-62932-2

Copyright-Jahr: 2017

DOI
https://doi.org/10.1007/978-3-319-62932-2_46