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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
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An ogive graph is sometimes called a cumulative frequency polygon. It is one type of frequency polygon that shows cumulative frequency. In other words, the cumulative percentages are added to the graph from left to right. An ogive graph plots cumulative frequency on the vertical y-axis and class boundaries along the horizontal x-axis. It’s very similar to a histogram; only instead of rectangles, an ogive displays a single point where the top right of the rectangle would be. Creating this...
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ExEmPLAR (提取,探索和嵌入导致可操作研究的途径):一个用户友好的界面,用于知识图挖掘.

Jon-Michael T Beasley1, Daniel R Korn2, Nyssa N Tucker1

  • 1Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA.

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概括

ExEmPLAR为研究人员简化了生物医学知识图的探索. 该工具有助于数据驱动的研究和假设生成,使复杂的数据更容易获得.

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科学领域:

  • 生物医学信息学 生物医学信息学
  • 计算生物学 计算生物学
  • 数据科学数据科学数据科学

背景情况:

  • 生物医学研究越来越依赖于知识图来整合各种数据.
  • 理解图形结构和查询语言限制了知识图形的更广泛采用.

研究的目的:

  • 介绍ExEmPLAR,一个用户友好的界面,用于对生物医学知识图进行推理.
  • 通过简化图形探索来促进数据驱动的研究和假设生成.

主要方法:

  • 开发一个图形用户界面 (GUI) 用于与知识图的直观交互.
  • 实现用于在生物医学数据中提取,探索和嵌入路径的功能.
  • 使用Trypanosoma cruzi和相关心血管疾病的案例研究进行演示.

主要成果:

  • ExEmPLAR提供了一个可访问的平台,用于导航复杂的生物医学知识.
  • 该工具有效地帮助识别生物实体与疾病之间的关系.
  • 案例研究证明了ExEmPLAR在了解疾病关联方面的实用性.

结论:

  • ExEmPLAR降低了在研究中使用生物医学知识图的进入壁垒.
  • 接口支持假设生成和可操作的研究见解.
  • ExEmPLAR是推动生物医学数据探索和发现的宝贵工具.