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  1. Content type: Research article

    In ligand-based screening, as well as in other chemoinformatics applications, one seeks to effectively search large repositories of molecules in order to retrieve molecules that are similar typically to a sing...

    Authors: Ramzi J Nasr, S Joshua Swamidass and Pierre F Baldi

    Citation: Journal of Cheminformatics 2009 1:7

    Published on:

  2. Content type: Research article

    The inverse-QSAR problem seeks to find a new molecular descriptor from which one can recover the structure of a molecule that possess a desired activity or property. Surprisingly, there are very few papers pro...

    Authors: William WL Wong and Forbes J Burkowski

    Citation: Journal of Cheminformatics 2009 1:4

    Published on:

  3. Content type: Research article

    This article coincides with the 40 year anniversary of the first published works devoted to the creation of algorithms for computer-aided structure elucidation (CASE). The general principles on which CASE meth...

    Authors: Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony J Williams and Tatiana Churanova

    Citation: Journal of Cheminformatics 2009 1:3

    Published on:

  4. Content type: Commentary

    The advent of the Internet has been the impetus for the Open Access movement, a movement focused on expanding access to information principally by reducing the costs of journals. I argue here that the Open Acc...

    Authors: Steven M Bachrach

    Citation: Journal of Cheminformatics 2009 1:2

    Published on:

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