PhiPlot: A Web-Based Interactive EDA Environment for Atmospherically Relevant Molecules

TL;DR

PhiPlot is a web-based interactive environment that facilitates exploration and analysis of high-dimensional atmospheric molecular data, integrating visualization, clustering, and domain knowledge to support hypothesis generation.

Contribution

It introduces PhiPlot, a novel web-based platform combining visualization, clustering, and knowledge-guided embedding for atmospheric molecular data analysis.

Findings

Enables discovery of patterns in complex molecular datasets

Supports hypothesis generation in atmospheric chemistry

Connects to existing molecular databases for data-driven research

Abstract

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.