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  • Evgeny Byvatov, Uli Fechner, Jens Sadowski, Gisbert Schneider
  • Computer Science, Medicine, Mathematics
  • J. Chem. Inf. Comput. Sci.
  • 2003 (First Publication: 1 November 2003)
  • Support vector machine (SVM) and artificial neural network (ANN) systems were applied to a drug/nondrug classification problem as an example of binary decision problems in early-phase virtualContinue Reading
  • Andreas Schüller, Marcel Suhartono, +5 authors Gisbert Schneider
  • Chemistry, Medicine, Computer Science
  • J. Comput. Aided Mol. Des.
  • 2008 (First Publication: 1 February 2008)
  • Principles of fragment-based molecular design are presented and discussed in the context of de novo drug design. The underlying idea is to dissect known drug molecules in fragments by straightforwardContinue Reading