University of New Mexico School of Medicine
WOMBAT 2005.1 contains over 100,000 unique SMILES and over 240,000 biological activities. Links to Swissprot, PDF files etc., are discussed. A derivative database related to pharmacokinetics is the WB-PK database. WB-PK contains 643 drugs with multiple human ADME/Tox endpoints: > 600 oral bioavailability and half-life data, > 500 plasma protein binding and volume of distribution values, > 400 clearance, non-renal clearance and maximum recommended therapeutic dose values, etc. Compiling this data from the literature requires a curation effort for both chemical structure and ADME/Tox endpoints. The overlap between WOMBAT and WB-PK allows us to better understand unwanted side-effects.