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 compounds, metabolites, and transformation-product relationships associated with the University of Antwerp collision cross section library. The dataset supports ion-mobility and high-resolution mass-spectrometry identification of contaminants of emerging concern and related transformation products.
A collection of metabolites and transformation products associated with thirdhand-smoke exposure. The dataset includes nicotine- and tobacco-related compounds, human metabolites, tobacco-specific nitrosamines, and potential biomarkers relevant to exposure assessment and toxicological research.
A collection of metabolism and biotransformation reactions extracted from ChEMBL records. The dataset links parent compounds to reported metabolites and may include associated pharmacological, protein, enzyme, gene, assay, and publication evidence where available.
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
