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Updated: Sep 25, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Molecular design and bioavailability
Robert D Clark1, Philippa R N Wolohan
1Tripos, Inc., St. Louis, MO 63144, USA. bclark@tripos.com
Abstract:
A "snapshot" of current medicinal chemistry work on bioavailability is drawn from issues of J. Med. Chem. covering the time period between September 2001 and September 2002. An exhaustive compilation of reported absolute oral bioavailability (F) values for this period is included, covering 34 structural series and 107 distinct compounds, with data for multiple species in many cases. This is supplemented with a discussion of more qualitative oral bioavailability results, and with illustrative examples addressing clearance, prodrug design, and blood/brain barrier penetration problems. Papers discussing predictions pertaining to one or another aspect of bioavailability are also discussed, and some thoughts on future directions of work on in silico prediction in this area are presented.
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