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

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

Authors

A new software package MOLGEN{QSPR for the ex-
ploration of quantitative structure property relationships is intro-
duced. Practical results obtained using this software are presented.
Original languageEnglish
JournalMATCH Communications in mathematical and in computer chemistry
Volume51
Issue number51
Pages (from-to)187-204
Number of pages18
ISSN0340-6253
Publication statusPublished - 04.2004
Externally publishedYes

Related by journal

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

Automatic enumeration of all connected subgraphs.

Rücker, G. & Rücker, C., 03.2000, In: MATCH Communications in mathematical and in computer chemistry. 41, p. 145-149 5 p.

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

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 contributions › Journal articles › Research › peer-review

How many organic compounds are graph-theoretically nonplanar?

Rücker, C. & Meringer, M., 03.2002, In: MATCH Communications in mathematical and in computer chemistry. 45, 45, p. 153-172 20 p.

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

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 contributions › Journal articles › Research › peer-review

Other publications by the same author(s)

Are Si-C bonds cleaved by microorganisms? A critical review on biodegradation of methylsiloxanes

Rücker, C., Grabitz, E. & Kümmerer, K., 01.04.2023, In: Chemosphere. 321, 137858.

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

Are Si–C bonds formed in the environment and/or in technical microbiological systems?

Rücker, C., Winkelmann, M. & Kümmerer, K., 08.2023, In: Environmental Science and Pollution Research. 30, 39, p. 91492-91500 9 p.

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

REACH und QSAR: ein Leitfaden für kleine und mittlere Unternehmen

Rücker, C., Mahmoud, W. M. M., Kümmerer, K. & Zipperer, U. (Editor), 06.2015, Lüneburg: Leuphana Universität Lüneburg, 29 p.

Research output: Working paper › Project reports › Research

Comment on "nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?"

Rücker, C., Meringer, M. & Wassermann, A., 13.04.2021, In: Journal of Chemical Education. 98, 4, p. 1465-1467 3 p.

Research output: Journal contributions › Comments / Debate / Reports › Research

Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method

Cumming, H. & Rücker, C., 30.09.2017, In: ACS Omega. 2, 9, p. 6244-6249 6 p.

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

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