Advances in computational chemistry have produced high-dimensional datasets on atmospherically relevant molecules. To aid exploration of such datasets, particularly for the study of atmospheric aerosol formation, we introduce PhiPlot: a web-based environment for interactive exploration and knowledge-based dimensionality reduction. The integration of visualisation, clustering, and domain knowledge-guided embedding refinement enables the discovery of patterns in the data and supports hypothesis generation. The application connects to an existing, evolving collection of molecular databases, offering an accessible interface for data-driven research in atmospheric chemistry.

翻译：计算化学的进展产生了关于大气相关分子的高维数据集。为辅助此类数据集的探索，特别是针对大气气溶胶形成的研究，我们推出了PhiPlot：一个基于Web的交互式探索与基于知识的降维环境。该平台通过可视化、聚类与领域知识引导的嵌入优化技术的集成，能够发现数据中的规律并支持假设生成。该应用连接至现有且持续演化的分子数据库集合，为大气化学领域的数据驱动研究提供了便捷的交互界面。