From: Joerg K. W. <we...@in...> - 2004-01-16 13:44:37
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Hi all, i've published a huge amount of descriptor calculation methods (at all 78 classes). This enables you to calculate, e.g. up to 3500 descriptors. The definitions for the CESTATE can be found in the publications using JOELib: http://www-ra.informatik.uni-tuebingen.de/software/joelib/users.html If you are interested there is now also the AtomPair descriptor available ! Please let me know, if you will use it, because a detailed analysis can eventually be used to publish a paper. So, be a nice scientist and let me know !!! Regards, Joerg -- 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 |