Visualization of multi-dimensional data of bioactive chemicals using a hierarchical data visualization technique "Heiankyo view"
Visualization of multi-dimensional data of bioactive chemicals using a hierarchical data visualization technique "Heiankyo view"
复制标题
使用分层数据可视化技术“Heiankyo view”对生物活性化学品的多维数据进行可视化
DOI：
--
复制
发表时间：
2006
期刊：
影响因子：
--
通讯作者：
F. Yamashita
中科院分区：
文献类型：
--
作者：
T. Itoh;F. Yamashita
在组合化学和高通量筛选时代，面向药物开发的生物活性化学物质的大规模数据正在积累。由于理解如此大量的数据所固有的困难，信息可视化技术越来越有吸引力。作者应用“Heiankyo View”（大规模分层数据表示技术）来可视化生物活性化学物质的多维数据。在本研究中，我们研究了可视化技术在构效关系（SAR）分析中的适用性。该研究首先通过自组织图谱分析根据化学物质生物作用的相似性对化学物质进行分类。然后，它应用递归分区方法来查找基于生物学的类别和化学结构之间的关系，最后将药物存储为分层数据。 HeiankyoView适合此类分层数据的可视化。本文首先描述了 Heiankyo View 的算法概述，然后提供了一些生物活性化学物质多维数据可视化的示例。
In the age of combinatorial chemistry and high throughput screening, large-scale data of bioactive chemicals oriented to drug development are being accumulated. Due to the difficulties inherent in understanding such large quantities of data, information visualization techniques are increasingly attractive. Authors apply "Heiankyo View", which is the technique for the representation of large-scale hierarchical data, for the visualization of multi-dimensional data of bioactive chemicals. In the present study, we investigated applicability of the visualization technique to the structure-activity relationship (SAR) analyses. The study first classifies chemicals according to similarity in their biological actions through self-organizing map analysis. It then applies a recursive partitioning method to find the relationship between biologically based categories and chemical structure, and finally it stores the drugs as hierarchical data. HeiankyoView is suitable for the visualization of such hierarchical data. This paper first describes the algorithmic overview of Heiankyo View, and then provides some example of visualization of multi-dimensional data of bioactive chemicals.
DOI：
10.1016/s1054-3589(08)60200-8
发表时间：
1997-01-01
期刊：
Advances in pharmacology (San Diego, Calif.)
影响因子：
--
作者：
Guengerich, F P
通讯作者：
Guengerich, F P