COSMOS Database, maintained through the COSMOS DataShare Point, is a means for managing and sharing toxicity and chemical data to assist in the safety assessment of cosmetics-related substances under the paradigm of non-animal testing strategies. This public resource comprises a total of 102,285 substance records spanning 31 toxicity endpoints searchable within COSMOS DB. Also included in the database is a comprehensive and openly-accessible cosmetics inventory derived from 15 sources, including regulatory inventories such as CosIng, Korean Cosmetics Industry Institute, US Personal Care Products Council, and Cosmetics Ingredient Review, as well as the European Food Safety Authority (EFSA). The database houses the critical point of departure data identified by the COSMOS TTC project in collaboration with the ILSI Europe, as well as other TTC datasets such as those established by Munro et al. (non-cancer) and CPDB (cancer). The COSMOS DB thus functions as the de facto clearing house for TTC datasets, which can be exported from the database. Similarities and differences between databases can be analyzed by exploring their chemical spaces, both in terms of molecular structures and properties. CORINA Symphony Community Edition provides a set of molecular properties suitable for examining similarity in property space, while ChemoTyper provides the ToxPrints, a diverse set of chemotypes for structure representation, ideal for comparing datasets in structure space. In addition to their use in chemical space exploration, these public resources can be used for designing structural rules specific to toxicity endpoints or biological activities of interest.

COSMOS DB and ChemoTyper: Public resources for managing, sharing and exploring toxicity data and chemical space

255th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.