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The following message was posted to: PharmPK
Dear colleagues,
I am currently involved in a research to predict human PK parameters
using data sets of experimental/in silco data. I currently do not have
access to an appropriate data set to work/simulate with, and would like
to ask the group members whether anyone has knowledge of such
publically available data sets. Another option would be those that have
appropriate data sets and are willing to share them.
The desired data set would be comprised of: 1-molecular structures;
2-experimental data from relevant in vitro models (e.g. Caco-2); 3-in
vivo PK
parameters from animal models (e.g. clearance, volume of distribution;
4- in
silico data (e.g. logP). Ideally, the data set would be comprised of
molecules
that have structural resemblence, such as those that are generated in
the
process of drug discovery/early drug development. This data set need
not be
complete for all molecules, but should have sufficient number of
molecules (e.g.
a minimum of 100).
Regards,
Moti Gust
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Copyright 1995-2010 David W. A. Bourne (david@boomer.org)