Mixture Touch: A Web Platform for the Evaluation of Complex Chemical Mixtures.

Risk assessment of chemical mixtures isRisk assessment of chemical mixtures is challenging because information about the chemical structure, concentration, properties, and toxicity, down to the individual compounds, is generally not readily accessible. To cope with this challenge, we think Mixture Touch- a web platform that offers a one-window solution, for free, for the risk assessment of complex mixtures that are analyzed with comprehensive two-dimensional gas chromatography (GC × GC). GC × GC is a powerful analytical technique for target and nontarget analysis of complex mixtures. Our web platform allows users to visualize the GC × GC data, conduct spectral identification, estimate properties, and analyze potential risks based on established methods. For illustration purpose, we show how to assess the aquatic bioaccumulation potential of short-chain chlorinated paraffin (SCCP), which is an industrially manufactured mixture. The platform readily demonstrated that most of the SCCP congeners did not have the tendency to accumulate in aquatic organisms but in humans. The platform can bridge the gap between the GC × GC experts, GC × GC users, analytical experts, and risk assessors. It could enhance the level of risk assessments of mixtures utilizing the high performance of the state-of-the-art analytical instruments.