EFSA Mammalian toxicology database public version

The database contains 396 metabolic maps and more than 5,600 metabolites for 280 unique parent chemicals. The collection includes multifunctional compounds - amines, acetals, ketals, ketones, alpha-amino carboxylic acids, arconic acid salts, ketals, (thio)carbamates and dithiocarbamates, lactams, lactones, thio- and dithiophosphates, carboxylic acids, halides, nitriles, (thio)esters, (thio)amides, phosphonic acid, ketones, epoxides, ketoxime derivatives, sulfonamides, phosphonamides, alcohols, arsonic acids, isothiocyanates, sulfoxides, sulfones, phenols, silanes, sulfides, N-nitro and C-nitro compounds. The variety of experimental conditions is represented through approx. 5,860 treatment groups covering in vivo metabolism in mammalians. Rat studies (5,740 treatment groups) prevail over other species and represent 98% of all studies. The other species include mouse, human, dog, monkey, baboon and rabbit.

The database is built using MSS Composers and MetaPath software. The quantitative information and details about treatment groups and test conditions could be seen in the MetaPath platform.

The original EFSA Mammalian toxicology MTB database was extended by adding explicit links between metabolites quantities in various results tables and corresponding metabolites and treatment groups in attempt to improve the utilization of quantitative data for metabolites within OECD Toolbox. The effort was funded by European Chemicals Agency (ECHA) and was conducted by LMC.