Bridging interspecific sensitivity gaps in Cladocera: A review of computational frameworks for ecological risk assessment

Aquatic environment protection faces escalating challenges from emerging contaminants, which present complex ecological risks. Cladocera, ecologically pivotal crustacean zooplankton in lentic freshwater ecosystems, are characterized by a short life cycle and parthenogenetic reproduction. They exhibit broad geographic distribution, high toxicant sensitivity, and significant interspecific variability, underscoring their critical role in water quality criteria (WQC) and ecological risk assessment. Traditional toxicity testing, however, cannot meet the growing demand for extensive data due to regulatory limitations, scalability issues, and narrow species coverage. This review examines computational toxicology methods to enhance cross-species extrapolation of toxicity sensitivity in Cladocera. We evaluate the Interspecies Correlation Estimation (ICE) model, methods based on Absorption, Distribution, Metabolism, and Excretion (ADME) processes, and Adverse Outcome Pathway (AOP) frameworks. Each method's application, strengths, and limitations for predicting interspecies toxicity variations are critically assessed. Furthermore, we propose two novel extrapolation frameworks: “ADME-Trait-TK” (quantifying toxicokinetic differences using traits to forecast internal contaminant concentrations) and “AOP-Gene-TD” (leveraging gene sequences and AOP to extrapolate toxicodynamic responses), outlining their parameters and use cases. Key research gaps are identified, including limited invertebrate AOP development, sparse trait and genomic data for non-model Cladocera, and insufficient integration of environmental variables into predictive models. Future priorities include establishing Cladocera-specific AOP databases, developing multi-scale TK/TD models integrated with omics data, fostering collaboration among ecotoxicologists, computational biologists, and ecologists, and advancing international data-sharing initiatives to address ecological risk assessment complexities. • Cladocera key for aquatic risk assessment due to high sensitivity. • Traditional WQC derivation may neglect native Cladoceran species. • New frameworks “ADME-Trait-TK” and “AOP-Gene-TD” improve extrapolation feasibility. • Challenges include data gaps, environmental variables and model accuracy. • Future developments need databases, multi-scale models and global collaboration.