The In vivo/In silico Metabolite Database (IIMDB) consists of known and computationally generated compounds. The database includes known biochemical compounds collected from existing biochemical databases plus computationally generated human phase I and phase II metabolites of these known compounds. The IIMDB database features a user-friendly web interface and a programmer-friendly RESTful web service.

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The predicted metabolites have indirect evidence of their potential existences in a given species as they are derived from known metabolites and metabolic reactions.

Li, L. et al. Anal. Chem. 2013, 85, 3401.

Ninety-five percent of the computationally generated metabolites in IIMDB were not found in any existing database.

Menikarachchi et al. J. Chem. Inf. Model. 2013, 53, 2483.

IIMDB contains a non-redundant list of known biochemical compounds collected from KEGG, HMDB, DrugBank, PlantCyc, PhenolExplorer and Lipid Maps. Human phase I and phase II metabolites of these compounds were generated using Meteor 14 from Lhasa Ltd. Metabolites were generated with the following Meteor constraints.

Absolute Reasoning
Relative Reasoning
Top Levels (2)
Meteor Knowledge Base 14.0.0_09_02_2012
No of Steps
Max No of Metabolites
Phase Option
Do Not Grow from Phase II Products

Access to IIMDB is provided via a password protected web interface and a RESTful web service. Users are required to have a valid licensed copy of Meteor to access IIMDB. Current Lhasa members can contact Lhasa Ltd to request a user name and password to access the IIMDB.

The IIMDB was built using ORIENTDB technology from Orient Technologies. OrientDB is an open source multi model (document, graph and sql like) database management system written in java.