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  1. Authors: Ksenia Oguievetskaia, Laetitia Martin-Chanas, Artem Vorotyntsev, Olivia Doppelt-Azeroual, Xavier Brotel, Stewart A Adcock, Alexandre G de Brevern, Francois Delfaud and Fabrice Moriaud
    Citation: Journal of Cheminformatics 2010 2(Suppl 1):P29

    This article is part of a Supplement: Volume 2 Supplement 1

  2. Previously, we developed a combined dictionary dubbed Chemlist for the identification of small molecules and drugs in text based on a number of publicly available databases and tested it on an annotated corpus...

    Authors: Kristina M Hettne, Antony J Williams, Erik M van Mulligen, Jos Kleinjans, Valery Tkachenko and Jan A Kors
    Citation: Journal of Cheminformatics 2010 2:3
  3. The virtual screening of large compound databases is an important application of structural-activity relationship models. Due to the high structural diversity of these data sets, it is impossible for machine l...

    Authors: Nikolas Fechner, Andreas Jahn, Georg Hinselmann and Andreas Zell
    Citation: Journal of Cheminformatics 2010 2:2
  4. A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. This review focuses on a special type of molecule editor...

    Authors: Peter Ertl
    Citation: Journal of Cheminformatics 2010 2:1
  5. There are three main problems associated with the virtual screening of bioassay data. The first is access to freely-available curated data, the second is the number of false positives that occur in the physica...

    Authors: Amanda C Schierz
    Citation: Journal of Cheminformatics 2009 1:21
  6. The identification of promising drug leads from a large database of compounds is an important step in the preliminary stages of drug design. Although shape is known to play a key role in the molecular recognit...

    Authors: Vishwesh Venkatraman, Padmasini Ramji Chakravarthy and Daisuke Kihara
    Citation: Journal of Cheminformatics 2009 1:19
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