Explore curated transformation-product datasets and their connected chemical relationships.
A curated collection of transformation products and metabolic reactions extracted from Hazardous Substances Data Bank content available through PubChem. The dataset includes parent compounds, metabolites, transformation pathways, and supporting toxicological or metabolic literature references.
A collection of parent-compound and transformation-product pairs developed at Eawag for high-resolution mass-spectrometry workflows. The dataset supports the identification and interpretation of environmental transformation products and micropollutants using tandem mass spectrometry and suspect-screening approaches.
A 2024 collection of pharmaceuticals and associated metabolites relevant to the Swiss market and environmental monitoring. The dataset supports suspect-screening of pharmaceutical residues and human metabolites in wastewater, surface water, and other environmental matrices.
A literature-curated collection of transformation products and parent-to-product reactions reported across environmental, biological, and abiotic systems. The dataset combines evidence from multiple publications and includes transformations associated with biodegradation, metabolism, photolysis, hydrolysis, oxidation, and other transformation processes.
A collection of metabolite and biotransformation reactions associated with the BioTransformer system. The dataset includes predicted and curated transformations related to human metabolism, microbial metabolism, gut-microbial metabolism, environmental biotransformation, and the formation of metabolites from pharmaceutical and environmental compounds.
A curated collection of biotransformation and biodegradation reactions derived from the Eawag Biocatalysis/Biodegradation Database. The dataset represents parent-to-product relationships, transformation pathways, and associated literature evidence re
