Journal of Chemical Information and Modeling, 1549-9596

Journal

Publications

  1. 2018
  2. Published

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

    Decherchi, S., Giovanni Bottegoni, Spitaleri, A., Rocchia, W. & Cavalli, A., 26 Feb 2018, In : Journal of Chemical Information and Modeling. 58, 2, p. 219-224 6 p.

    Research output: Contribution to journalArticle

  3. 2015
  4. Published

    Structure-based predictions of activity cliffs

    Husby, J., Giovanni Bottegoni, Kufareva, I., Abagyan, R. & Cavalli, A., 28 Apr 2015, In : Journal of Chemical Information and Modeling. 55, 5, p. 1062-1076 15 p.

    Research output: Contribution to journalArticle

  5. 2006
  6. Published

    SMIREP: Predicting Chemical Activity from SMILES

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

    Research output: Contribution to journalArticle

  7. 2003
  8. Published

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

    Georgios Gkoutos, Rzepa, H., Clark, R. M., Adjei, O. & Johal, H., 8 Aug 2003, In : J Chem Inf Comput Sci. 43, 5, p. 1342-1355 14 p.

    Research output: Contribution to journalArticle

  9. 2001
  10. Published

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

    Georgios Gkoutos, Murray-Rust, P., Rzepa, H. S. & Wright, M., 25 Jul 2001, In : J Chem Inf Comput Sci. 41, 5, p. 1124-1130 7 p.

    Research output: Contribution to journalArticle