LiSIs Poster Presentation
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LiSIs is an online scientific workflow system for life sciences research developed by the University of Cyprus. It provides a web-based platform for building and executing scientific workflows for virtual screening. Using LiSIs, researchers can identify natural products that bind to estrogen receptors through property prediction models, docking prediction models, and integration with chemoinformatics toolkits and databases. The system addresses the challenges of providing virtual screening resources and tools for building predictive models in a web-based workflow environment accessible to both expert and novice users.
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This document outlines a parallel implementation of a multi-objective evolutionary algorithm. It discusses evolutionary algorithms and their use for single and multi-objective optimization problems. It also describes how parallel evolutionary algorithms can distribute computational work across multiple cores for faster computation. The document then details a Multi-Objective Evolutionary Graph Algorithm and its parallel implementation to solve multi-objective optimization problems efficiently using parallel computing resources.
9th ITAB 2009 Parallel-MEGA
This document describes a parallel implementation of a multi-objective evolutionary algorithm (MOEA). It presents a graph-based MOEA called MEGA that uses genetic operators like mutations and crossover on graph representations. This is parallelized as PMEGA by running MEGA on separate processor cores and subpopulations with periodic migration. Experiments on a drug design problem show PMEGA achieves similar solution quality as MEGA while providing a 1.6x speedup on a dual-core CPU.
More from Christos Kannas (12)
LiSIs Poster Presentation
- 1. TEMPLATE DESIGN © 2008 www.PosterPresentations.com LiSIs: An Online Scientific Workflow System for Life Sciences Research C. C. Kannas, K. G. Achilleos, Z. Antoniou, I. Kalvari, I. Kirmitzoglou, C. A. Nicolaou, V. J. Promponas and C. S. Pattichis Department of Computer Science, University of Cyprus Department of Biological Sciences, University of Cyprus Motivation Web-based Scientific Workflow System for Virtual Screening Showcase Results Identify natural products that are ER binders Methods Acknowledgement This work was partially funded by EU-FP7 GRANATUM project, contract number ICT-2009.5.3. 270139 ERα (3ERT) ERβ (1X7J) Indofine Catalogue Web browsers Life Sciences Informatics System (LiSIs) http://www.granatum.org http://lisis.cs.ucy.ac.cy Galaxy http://galaxyproject.org RDKit http://www.rdkit.org Web-based Scientific Workflow Management System Chemoinformatics Toolkit Property Prediction Models (QSAR & QSPR) R http://www.r-project.org/ Docking Prediction Models (In silico molecular docking) AutoDock Vina http://vina.scripps.edu/ Challenges • Web-based Scientific Workflow Management System • Virtual Screening resources for Biomedical Researchers • Property Prediction Model Building and Reuse • Docking Prediction Model Building for Novice and Expert users • Integration with GRANATUM platform (OAuth 1.0)