WOMBAT Data for Enrichment Studies

WOMBAT courtesy of Sunset Molecular publishers of WOMBAT.

If you use this data, please cite the following: Good AC and Oprea TI, "Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?", J. Comput. Aided Mol. Des. 2008, 22: 169-78.

It will be curated soon. For now, here are the raw files. No decoys are currently supplied. These will appear later. All the compounds in WOMBAT come with activity data and original reference, allowing users to group by potency or date of publication when assessing performance.

Please direct correspondence to Andrew Good at andrew.good (at) bms dot com cc to jji (at) cgl dot ucsf dot edu.

• Summary of the WOMBAT data (same document as for clustering) (PDF format)
• SDF format Files (Browse)