用于可视化和分析化学反应网络的基于web的图形用户界面

IF 3.1 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Reaction Chemistry & Engineering Pub Date : 2025-05-29 DOI:10.1039/D5RE00170F

Akihiro Honda, Mikael Kuwahara, Yoshiki Hasukawa, Keisuke Takahashi and Lauren Takahashi

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引用次数: 0

摘要

提出了一个用于网络可视化和分析的图形用户界面，集成在数据科学催化剂采集（CADS）平台中，以简化化学反应网络的研究。该界面允许用户上传CSV数据并执行中心性计算、聚类、最短路径搜索等，而不需要编程技能。它提供了直观的功能，如节点突出显示、导航和力导向或圆形布局的可视化。此外，网络可以表示为Petri网或有向图，提供对反应动力学的更深入的了解。该平台旨在使网络理论更易于理解，并加速其在化学研究中的应用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Web-based graphical user interface for visualizing and analyzing chemical reaction networks

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Web-based graphical user interface for visualizing and analyzing chemical reaction networks

A graphical user interface for network visualization and analysis is proposed, integrated within the Catalyst Acquisition by Data Science (CADS) platform to simplify the study of chemical reaction networks. The interface enables users to upload CSV data and perform centrality calculations, clustering, shortest path searches, and more, without requiring programming skills. It offers intuitive features such as node highlighting, navigation, and visualization in force-directed or circular layouts. Additionally, networks can be represented as Petri nets or directed graphs, providing deeper insights into reaction dynamics. This platform aims to make network theory more accessible and accelerate its application in chemical research.

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来源期刊

Reaction Chemistry & Engineering Chemistry-Chemistry (miscellaneous)

CiteScore

6.60

自引率

7.70%

发文量

227

期刊介绍： Reaction Chemistry & Engineering is a new journal reporting cutting edge research into all aspects of making molecules for the benefit of fundamental research, applied processes and wider society. From fundamental, molecular-level chemistry to large scale chemical production, Reaction Chemistry & Engineering brings together communities of chemists and chemical engineers working to ensure the crucial role of reaction chemistry in today’s world.