Hi all,
if you are interested in QSAR, here we go. All mentioned descriptor
calculation methods are part of the actual JOELib distribution. So
decide on your own if you like them.
Part I - Data preparation and feature selection:
http://dx.doi.org/10.1021/ci0342324
Part II - Human Intestinal Absorption:
http://dx.doi.org/10.1021/ci034233w
Regards, Joerg
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Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW: http://www-ra.informatik.uni-tuebingen.de
--
Never mistake motion for action.
E. Hemingway
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