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Journal of Chemical Information and Modeling, ‎1549-9596

Journal

1 - 8 out of 8Page size: 10
  1. 2011

  2. Structrank: A new approach for ligand-based virtual Screening

    Rathke, F., Hansen, K., Brefeld, U. & Müller, K. R., 24.01.2011, In: Journal of Chemical Information and Modeling. 51, 1, p. 83-92 10 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  3. 2007

  4. y-Randomization and its variants in QSPR/QSAR

    Rücker, C., Rücker, G. & Meringer, M., 11.2007, In: Journal of Chemical Information and Modeling. 47, 6, p. 2345-2357 13 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  5. Molecules in silico: A graph description of chemical reactions

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 29.05.2007, In: Journal of Chemical Information and Modeling. 47, 3, p. 805-817 13 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  6. 2005

  7. QSPR Using MOLGEN-QSPR: The challenge of fluoroalkane boiling points

    Rücker, C., Meringer, M. & Kerber, A., 01.2005, In: Journal of Chemical Information and Modeling. 45, 1, p. 74-80 7 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  8. 2004

  9. Organic Synthesis – Art or Science?

    Rücker, C., Rücker, G. & Bertz, S. H., 03.05.2004, In: Journal of Chemical Information and Computer Sciences. 44, 2, p. 378-386 9 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  10. 2002

  11. Exploring the limits of graph invariant- and spectrum-based discrimination of (sub)structures.

    Rücker, C., Rücker, G. & Meringer, M., 05.2002, In: Journal of Chemical Information and Computer Sciences. 42, 3, p. 640-650 11 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  12. 2001

  13. Substructure, subgraph, and walk counts as measures of the complexity of graphs and molecules.

    Rücker, G. & Rücker, C., 01.11.2001, In: Journal of Chemical Information and Computer Sciences. 41, 6, p. 1457-1462 6 p.

    Research output: Journal contributions › Journal articles › Research › peer-review

  14. 2000

  15. Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.

    Rücker, G. & Rücker, C., 2000, In: Journal of Chemical Information and Computer Sciences. 40, 1, p. 99-106 8 p.

    Research output: Journal contributions › Journal articles › Research › peer-review