A tool for the post data analysis of screened compounds derived from computer-aided docking scores

一种用于对计算机辅助对接评分筛选化合物进行后数据分析的工具

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Abstract

A method is described for the analysis of the results obtained from the docking studies applied on a protein target and small molecules chemical compounds as ligands from various sources using different docking tools. We show the use of Dempster Shafer Theory (DST) to select the high ranking top compounds for further analysis and consideration. AVAILABILITY: Application is freely available at http://allamapparao.org/dst/

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