OrbiTox: A Visualization Platform for NAMs and read-across exploration of Multi-Domain Data

Austin Ross¹Vijay Gombar^1*Alexander Sedykh¹Adrian J Green^1*Alexandre Borrel¹Brian Kidd¹Jason Phillips¹Mihir Shah¹Dhiral Phadke¹Deepak Mav¹Michele Balik-Meisner¹Brian Howard¹Ruchir Shah¹Nicole C Kleinstreuer^2,3Warren Michael Casey^2,3

• ¹Sciome LLC, Research Triangle Park, United States
• ²National Institute of Environmental Health Sciences Division of Translational Toxicology, Durham, United States
• ³National Institutes of Health Division of Program Coordination Planning and Strategic Initiatives, Bethesda, United States

The development of New Approach Methodologies (NAMs) for Next Generation Risk Assessment (NGRA) requires the integration of diverse data streams. A comprehensive understanding of a chemical's potential hazard involves combining multiple mechanistic data, usually from in vitro and in silico studies, to build a coherent weight-of-evidence case. Currently, the lack of tools to effectively aggregate and navigate disparate datasets makes regulatory evaluation a challenging process. OrbiTox addresses this need by consolidating millions of data points from multiple domains, i.e., chemical properties, genes, pathways, and bioactivities, into an intuitive, interactive 3D visualization platform. To support comprehensive chemical assessments, OrbiTox incorporates hundreds of Quantitative Structure-Activity Relationship (QSAR) models for robust gap-filling of key endpoints. It also facilitates read-across by enabling the retrieval of data-rich chemical analogs with similar structures and metabolic profiles. By unifying experimental data and predictive models within a user-friendly interface, OrbiTox facilitates data-driven chemical safety assessments.