Journal of Chemical Information and Modeling, 1549-9596

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  1. Article › Research › Peer-reviewed
  2. Published

    BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

    Giovanni Bottegoni, 26 Feb 2018, In: Journal of Chemical Information and Modeling. 58, 2, p. 219-224 6 p.

    Research output: Contribution to journal › Article › peer-review

  3. Published

    Chemical machine vision: automated extraction of chemical metadata from raster images

    Georgios Gkoutos, 8 Aug 2003, In: J Chem Inf Comput Sci. 43, 5, p. 1342-1355 14 p.

    Research output: Contribution to journal › Article › peer-review

  4. Published

    Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

    Georgios Gkoutos, 25 Jul 2001, In: J Chem Inf Comput Sci. 41, 5, p. 1124-1130 7 p.

    Research output: Contribution to journal › Article › peer-review

  5. Published

    Chemical markup, XML, and the world wide web. 7. CMLSpect, an XML vocabulary for spectral data

    Georgios Gkoutos, 2007, In: Journal of Chemical Information and Modeling.

    Research output: Contribution to journal › Article › peer-review

  6. Published

    SMIREP: Predicting Chemical Activity from SMILES

    Andreas Karwath, 2006, In: Journal of Chemical Information and Modeling. 46, 6, p. 2432 - 2444

    Research output: Contribution to journal › Article › peer-review

  7. Published

    Structure-based predictions of activity cliffs

    Giovanni Bottegoni, 28 Apr 2015, In: Journal of Chemical Information and Modeling. 55, 5, p. 1062-1076 15 p.

    Research output: Contribution to journal › Article › peer-review