Toxicology is undergoing through profound changes as the focus of investigation is shifted from the observation of apical phenomena to mechanistic aspects of the exposure. If on one hand we need to ensure that dangerous chemicals do not emerge, on the other, we also need to promote rapid and sustainable innovation to successfully overcome the modern challenges of humankind. Toxicogenomics aims at clarifying the mechanism of action (MOA) of chemicals by using omics assays. The Adverse Outcome Pathways (AOP) concept is also emerging to contextualise toxicogenomics-derived MOA. Efforts are ongoing to anchor AOPs to molecular assays, but systematic embedding of AOP-derived in vitro tests and Integrated Approaches to Testing and Assessment (IATA) are still unestablished. At the same time, toxicogenomics-based evidence still struggles to gain regulatory acceptance. At the Finnish Hub for Development and Validation of Integrated Approaches (FHAIVE), we develop new IATA (Integrated Approaches for Testing and Assessment) based on big data science, artificial intelligence (AI), network science, toxicogenomics, molecular assays and cell technology via an integrated and comprehensive knowledge graph approach. In this talk, I will present some examples of the advances we are implementing in the field of toxicology and how they can be used in a unified framework to guide the safe-, sustainable- and effective-by-design chemicals, drugs, and materials.