AUTOGRAPH: ChemicalReaction Networks in 3D

Understanding and analyzing large-scale reaction networks is a fundamental challenge due to their complexity and size, often beyond human comprehension. In this paper, we introduce AUTOGRAPH, the first web-based tool designed for the interactive three-dimensional (3D) visualization and construction of reaction networks. AUTOGRAPH emphasizes ease of use, allowing users to intuitively build, modify, and explore individual reaction networks in real time. The platform supports a wide range of formats, including CHEMKIN, ensuring compatibility and seamless integration with existing data. Key features of AUTOGRAPH include advanced 3D visualization techniques combined with a fast force-directed algorithm, shortest-path searching, and filtering, facilitating the in-depth exploration of reaction networks. By providing detailed and interactive visualizations, our tool enhances users’ ability to comprehend, analyze, and present complex reaction networks, making it a valuable resource for researchers dealing with intricate chemical systems.