Human oral bioavailability database

The oral bioavailability database includes 1013 molecules collected from about 250 literatures. There are three databases for downloading. The first database includes 1013 molecules, the second one includes 805 molecules and the third one includes 773 molecules. The first database is the updated version of the second one. In the new version of the database, more than 200 molecules were added, and some errors in the old version were corrected. So please download the updated version for your research.

Download the databases

1. The new bioavailability database released in 2010 includes 1013 molecules. The zip
     file has the following three sdf files:
     bioavailability_version3_1013.sdf
     bioavailability_version3_training_set.sdf
     bioavailability_version3_test_set.sdf
      •bioavailability_version3.zip

1. The updated version of the bioavailability database includes 805 molecules
      • bioavailability_version2.zip

2. The old version of the bioavailability database includes 773 molecules
      • bioavailability1.zip

Note: All the above files are password protected when compressed by using Winzip. Sign the license file and apply for the passwd from the ADME group.

License file download: license.pdf or license.doc

Reference

[1]. Tingjun Hou, Junmei Wang, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 6. If the oral bioavailability in human can be effectively predicted by simple molecular properties-based rules? Journal of Chemical Information and Modeling, 2007, 47, 460-463. [html] [PDF].

[2]. Sheng Tian, Youyong Li, Junmei Wang, Jian Zhang, Tingjun Hou, ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Human based on Molecular Properties and Structural Fingerprints, submitted.

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