Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Ralf Gugisch"'
Autor:
Apurba K. Bhattacharjee, José Luis Villaveces, Lakshminarasimhan Rajagopalan, Jorge Galvez, Shereena M. Arif, Axel Kohnert, Ralf Gugisch, Subhabrata Majumdar, Subhash C. Basak, Matthias Dehmer, Marjan Vračko, Debesh R. Roy, Christoph Rücker, Ramón García-Domenech, Maria Galvez-Llompart, Hariharan Rajesh, Nenad Trinajstić, Ivan Sović, Markus Meringer, Reinhard Laue, Danail Bonchev, John D. Holliday, Ray Hefferlin, Guillermo Restrepo, Lavanya Sivakumar, Pratim Kumar Chattaraj, Adalbert Kerber, Vellarkad N. Viswanadhan, Peter Willett, Alfred Wassermann, Bono Lučić
Publikováno v:
Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ba85c77e6dfda62d280bbcb41951ad1
https://doi.org/10.2174/97816810819771150101
https://doi.org/10.2174/97816810819771150101
Autor:
C Ruecker, Philippe Schmitt-Kopplin, Markus Meringer, Moritz Frommberger, Ralf Gugisch, Norbert Hertkorn, Matthias Witt, E. M. Perdue
Publikováno v:
Analytical and Bioanalytical Chemistry
This perspective article provides an assessment of the state-of-the-art in the molecular-resolution analysis of complex organic materials. These materials can be divided into biomolecules in complex mixtures (which are amenable to successful separati
Autor:
Reinhard Laue, Markus Meringer, Christoph Rücker, Ralf Gugisch, Axel Kohnert, Alfred Wassermann, Adalbert Kerber
Publikováno v:
Gugisch, R, Kerber, A, Kohnert, A, Laue, R, Meringer, M, Rücker, C & Wassermann, A 2014, MOLGEN 5.0, a Molecular Structure Generator . in S C Basak, G Restrepo & J L Villaveces (eds), Advances in Mathematical Chemistry and Applications . vol. 1, Advances in Mathematical Chemistry and Applications, vol. 1, Bentham Science Publishers, Sharjah, pp. 113-138 . DOI: 10.2174/9781608059287114010010
Gugisch, R, Kerber, A, Kohnert, A, Laue, R, Meringer, M, Rücker, C & Wassermann, A 2014, MOLGEN 5.0, a Molecular Structure Generator . in S C Basak, G Restrepo & J L Villaveces (eds), Advances in Mathematical Chemistry and Applications . vol. 1, Advances in Mathematical Chemistry and Applications, vol. 1, Bentham Science Publishers B.V., Sharjah, pp. 113-138 . DOI: 10.2174/9781608059287114010010
Gugisch, R, Kerber, A, Kohnert, A, Laue, R, Meringer, M, Rücker, C & Wassermann, A 2014, MOLGEN 5.0, a Molecular Structure Generator . in S C Basak, G Restrepo & J L Villaveces (eds), Advances in Mathematical Chemistry and Applications . vol. 1, Advances in Mathematical Chemistry and Applications, vol. 1, Bentham Science Publishers B.V., Sharjah, pp. 113-138 . DOI: 10.2174/9781608059287114010010
MOLGEN 5.x combines the efficiency of the molecular generator MOLGEN 3.5 and the flexibility of MOLGEN 4.x. To achieve this, the software was reimplemented based on a totally new concept. The most visible new features are fuzzy molecular formula inpu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::809259b09e79a74d8d90d44b575f8022
http://fox.leuphana.de/portal/de/publications/molgen-50-a-molecular-structure-generator(a70c07ff-e37a-41d8-9da0-008778294247).html
http://fox.leuphana.de/portal/de/publications/molgen-50-a-molecular-structure-generator(a70c07ff-e37a-41d8-9da0-008778294247).html
Autor:
Ralf Gugisch
Publikováno v:
Algorithmic Algebraic Combinatorics and Gröbner Bases ISBN: 9783642019593
Algorithmic Algebraic Combinatorics and Gröbner Bases
Algorithmic Algebraic Combinatorics and Gröbner Bases
We developed a computer program for generating all oriented matroids corresponding to a prescribed underlying matroid. The generation process and its output can be controlled via a variety of possible restrictions allowing to generate specific sets o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f15bdb2c481e40d1e85b3af5e24be3d2
https://doi.org/10.1007/978-3-642-01960-9_7
https://doi.org/10.1007/978-3-642-01960-9_7
Publikováno v:
Journal of chemical information and computer sciences. 44(5)
Two methods to obtain numbers of stereoisomers and of achiral stereoisomers of a given molecular structure are detailed on the example of di- and triinositols. The first method is manual exhaustive construction free of redundance of all stereoisomers
Autor:
Adalbert Kerber, Joachim Braun, Christoph Rücker, Ralf Gugisch, Reinhard Laue, Markus Meringer
Publikováno v:
Scopus-Elsevier
The MOLGEN Chemical Identifier MOLGEN-CID is a software module freely accessible via the Internet. For a molecule or graph entered in molfile format (2D) it produces, by a canonical renumbering procedure, a canonical molfile and a unique character st
Autor:
Ralf Gugisch
Publikováno v:
Conceptual Structures: Broadening the Base ISBN: 9783540423447
ICCS
ICCS
We propose an approach to many-valued contexts using formal descriptions instead of scaling. The underlying idea is the philosphical definition of a concept as a set of objects together with the most precise description. We introduce a formal descrip
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08607df818fbf214407fe87b739973d1
https://doi.org/10.1007/3-540-44583-8_12
https://doi.org/10.1007/3-540-44583-8_12