In this web-delivered workshop, participants search the MDL Metabolite Database and the MDL Toxicity Database to determine potential metabolic outcomes and likely toxic effects for a novel compound. Using a proposed research scenario, participants are introduced to the MDL Metabolite Browser and MDL Toxicity Finder applications.

• Conduct an exact match search and a similarity search for parent molecules within the MDL Metabolite Database.
• View information about the transformation schemes retrieved, as well as information specific to substrate and metabolite molecules.
• To determine the likelihood of a particular biotransformation, conduct a search for transformations that have the same specific substructures and reaction type of interest.
• Combine data criteria (such as test species and excretion mode) with transformation search criteria.
• View toxicity data for likely metabolites from the MDL Toxicity Database.