Browse by research area

  1. In search of simplification: The use of topological complexity indices to guide retrosynthetic analysis.

    Bertz, S. H. & Rücker, C., 05.2004, In: Croatica Chemica Acta. 77, 1-2, p. 221-235 15 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  2. E/Z isomerism without a double bond - An unusual type of stereoisomerism, and an unprecedented isomerisation in a bicyclobutane

    Rücker, C. & Haftstein, G., 05.2004, In: Croatica Chemica Acta. 77, 1-2, p. 237-241 5 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  3. MOLGEN-QSPR, a software package for the study of quantitative structure-property relationships.

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 04.2004, In: MATCH Communications in mathematical and in computer chemistry. 51, 51, p. 187-204 18 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  4. MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.

    Braun, J., Gugisch, R., Kerber, A., Laue, R., Meringer, M. & Rücker, C., 01.09.2004, In: Journal of Chemical Information and Computer Science. 44, 2, p. 542-548 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  5. 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 contributionsJournal articlesResearchpeer-review

  6. Molecules in silico: potential versus known organic compounds.

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 2005, In: MATCH Communications in mathematical and in computer chemistry. 54, 2, p. 301-312 12 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  7. Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts

    Braun, J., Kerber, A., Meringer, M. & Rücker, C., 2005, In: MATCH Communications in mathematical and in computer chemistry. 54, 1, p. 163-176 14 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  8. 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 contributionsJournal articlesResearchpeer-review

  9. Published

    Nonylphenol polyethoxylate degradation by means of electrocoagulation and electrochemical Fenton

    Martins, A. F., Wilde, M. L., Vasconcelos, T. G. & Henriques, D. M., 15.06.2006, In: Separation and Purification Technology. 50, 2, p. 249-255 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  10. 2D QSAR of PPARγ agonist binding and transactivation.

    Rücker, C., Scarsi, M. & Meringer, M., 01.08.2006, In: Bioorganic & Medicinal Chemistry. 14, 15, p. 5178-5195 18 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  11. CASE via MS: ranking structure candidates by mass spectra

    Kerber, A., Meringer, M. & Rücker, C., 2006, In: Croatica Chemica Acta. 79, 3, p. 449-464 16 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  12. 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 contributionsJournal articlesResearchpeer-review

  13. High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems.

    Hertkorn, N., Rücker, C., Meringer, M., Gugisch, R., Frommberger, M., Perdue, E. M., Witt, M. & Schmitt-Kopplin, P., 11.2007, In: Analytical & Bioanalytical Chemistry. 389, 5, p. 1311-1327 17 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  14. History and progress of the generation of structural formulae in chemistry and its applications.

    Gugisch, R., Kerber, A., Laue, R., Meringer, M. & Rücker, C., 2007, In: MATCH Communications in mathematical and in computer chemistry. 58, 2, p. 239-280 42 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  15. 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 contributionsJournal articlesResearchpeer-review

  16. Published

    Semi-micro reflux procedure for minimization of chloride interference by COD determination.

    Martins, A. F., de Jesus, L. E. W., Vendruscolo, N., Vasconcelos, T. G. & Wilde, M. L., 25.01.2008, In: Clean - Soil, Air, Water. 36, 1, p. 66-69 4 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  17. Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor γ activity: A combined virtual screening and biological assay approach.

    Scarsi, M., Podvinec, M., Roth, A., Albrecht, H., Hug, H., Kersten, S., Schwede, T., Meyer, U. A. & Rücker, C., 02.2007, In: Molecular Pharmacology. 71, 2, p. 398-406 9 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  18. Untersuchung des Abbaus der Zytostatika Ifosfamid und Cyclophosphamid mit dem Closed Bottle test (OECD 301).

    Kümmerer, K., Steger-Hartmann, T., Baranyai, A. & Bürhaus, I., 1996, In: Zentralblatt für Hygiene und Umweltmedizin. 193, 3, p. 215-225 10 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  19. Expression of cyclooxygenase isozymes during morphogenesis and cycling of pelage hair follicles in mouse skin. Precocious Onset of the First Catagen Phase and Alopecia upon Cyclooxygenase-2 Overexpression

    Müller-Decker, K., Leder, C., Neumann, M., Neufang, G., Bayerl, C., Schweizer, J., Marks, F. & Fürstenberger, G., 01.10.2003, In: Journal of Investigative Dermatolgy . 121, 4, p. 661-668 8 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  20. Published

    Numerical dynamic simulation and analysis of a lithium bromide/water long term solar heat storage system

    N'Tsoukpoe, K. E., Le Pierres, N. & Luo, L., 01.2012, In: Energy. 37, 1, p. 346-358 13 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review