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Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application

机译:比较进化程序和进化模式搜索算法:药物对接应用程序

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Evolutionary programs (EPs) and evolutionary pattern search algorithms (EPSAs) are two general classes of evolutionary methods for optimizing on continuous domains. The relative performance of these methods has been evaluated on standard global optimization test functions, and these results suggest that EPSAs more robustly converge to near-optimal solutions that EPs. In this paper the authors evaluate the relative performance of EPSAs and EPs on a real-world application: flexible ligand binding in the Autodock docking software. The authors compare the performance of these methods on a suite of docking test problems. The authors' results confirm that EPSAs and EPs have comparable performance, and they suggest that EPSAs may be more robust on larger, more complex problems.

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