HTS 导航器：免费访问的 cheminformatics 软件，用于分析高通量筛选数据。
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data.
机构信息
Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill and Department of Pharmacology and the NIMH Psychoactive Drug Screening Program, School of Medicine, University of North Carolina Chapel Hill School of Medicine, Chapel Hill, NC 27599, USA.
出版信息
Bioinformatics. 2014 Feb 15;30(4):588-9. doi: 10.1093/bioinformatics/btt718. Epub 2013 Dec 28.
Abstract
SUMMARY
We report on the development of the high-throughput screening (HTS) Navigator software to analyze and visualize the results of HTS of chemical libraries. The HTS Navigator processes output files from different plate readers' formats, computes the overall HTS matrix, automatically detects hits and has different types of baseline navigation and correction features. The software incorporates advanced cheminformatics capabilities such as chemical structure storage and visualization, fast similarity search and chemical neighborhood analysis for retrieved hits. The software is freely available for academic laboratories.
AVAILABILITY AND IMPLEMENTATION
摘要
摘要
我们报告了高通量筛选（HTS）导航器软件的开发，用于分析和可视化化学文库 HTS 的结果。HTS 导航器处理来自不同平板读数器格式的输出文件，计算总体 HTS 矩阵，自动检测命中，并具有不同类型的基线导航和校正功能。该软件结合了先进的化学信息学功能，如化学结构存储和可视化、快速相似性搜索和检索命中的化学邻域分析。该软件可免费供学术实验室使用。
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