Christoph Rücker

发表

Mathematical Chemistry and Chemoinformatics - Structure Generation, Elucidation and Quantitative Structure-Property Relationships

Adalbert Kerber, Reinhard Laue, Emma L. Schymanski, 2013 .

On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs

Gerta Rücker, Christoph Rücker, 1991, J. Chem. Inf. Comput. Sci..

Computer perception of constitutional (topological) symmetry: TOPSYM, a fast algorithm for partitioning atoms and pairwise relations among atoms into equivalence classes

Gerta Rücker, Christoph Rücker, 1990, J. Chem. Inf. Comput. Sci..

On Walks in Molecular Graphs

Gerta Rücker, Christoph Rücker, Ivan Gutman, 2001, J. Chem. Inf. Comput. Sci..

Walking Backward: Walk Counts of Negative Order

Gerta Rücker, Christoph Rücker, 2003, J. Chem. Inf. Comput. Sci..

Using Protochirons for Three-Dimensional Coding of Certain Chemical Structures

Christoph Rücker, Alexandru T. Balaban, A. Balaban, 2001, J. Chem. Inf. Comput. Sci..

Walk Counts, Labyrinthicity, and Complexity of Acyclic and Cyclic Graphs and Molecules

Gerta Rücker, Christoph Rücker, G. Rücker, 2000, J. Chem. Inf. Comput. Sci..

On Topological Indices, Boiling Points, and Cycloalkanes

Gerta Rücker, Christoph Rücker, G. Rücker, 1999, J. Chem. Inf. Comput. Sci..

Molecules in Silico: A Graph Description of Chemical Reactions

Adalbert Kerber, Reinhard Laue, Markus Meringer, 2007, J. Chem. Inf. Model..

Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition

Gerta Rücker, Christoph Rücker, 1991, J. Chem. Inf. Comput. Sci..

On Finding Nonisomorphic Connected Subgraphs and Distinct Molecular Substructures

Gerta Rücker, Christoph Rücker, G. Rücker, 2001, J. Chem. Inf. Comput. Sci..

MOLGEN-CID - A Canonizer for Molecules and Graphs Accessible through the Internet

Adalbert Kerber, Reinhard Laue, Markus Meringer, 2004, J. Chem. Inf. Model..

Symmetry-Aided Computation of the Detour Matrix and the Detour Index

Gerta Rücker, Christoph Rücker, 1998, J. Chem. Inf. Comput. Sci..

Manual Construction and Mathematics- and Computer-Aided Counting of Stereoisomers. The Example of Oligoinositols

Adalbert Kerber, Christoph Rücker, Ralf Gugisch, 2004, J. Chem. Inf. Model..

Mathematical Relation between Extended Connectivity and Eigenvector Coefficients

Gerta Rücker, Christoph Rücker, G. Rücker, 1994, J. Chem. Inf. Comput. Sci..

Substructure, Subgraph, and Walk Counts as Measures of the Complexity of Graphs and Molecules

Gerta Rücker, Christoph Rücker, G. Rücker, 2001, J. Chem. Inf. Comput. Sci..

y-Randomization and Its Variants in QSPR/QSAR

Gerta Rücker, Markus Meringer, Christoph Rücker, 2007, J. Chem. Inf. Model..

Exploring the Limits of Graph Invariant- and Spectrum-Based Discrimination of (Sub)structures

Gerta Rücker, Markus Meringer, Christoph Rücker, 2002, J. Chem. Inf. Comput. Sci..

QSPR Using MOLGEN-QSPR: The Challenge of Fluoroalkane Boiling Points

Adalbert Kerber, Markus Meringer, Christoph Rücker, 2005, J. Chem. Inf. Model..

Counts of all walks as atomic and molecular descriptors

Gerta Rücker, Christoph Rücker, G. Rücker, 1993, J. Chem. Inf. Comput. Sci..

Organic Synthesis - Art or Science?

Gerta Rücker, Christoph Rücker, Steven H. Bertz, 2004, J. Chem. Inf. Model..

QSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling Points

Adalbert Kerber, Markus Meringer, Christoph Rücker, 2004, J. Chem. Inf. Model..

2D QSAR of PPARγ agonist binding and transactivation

Markus Meringer, Christoph Rücker, Marco Scarsi, 2006 .

Understanding the properties of isospectral points and pairs in graphs: The concept of orthogonal relation

Gerta Rücker, Christoph Rücker, G. Rücker, 1992 .

CASE via MS: Ranking Structure Candidates by Mass Spectra

Adalbert Kerber, Markus Meringer, Christoph Rücker, 2006 .

2D QSAR of PPARgamma agonist binding and transactivation.

Markus Meringer, Christoph Rücker, Marco Scarsi, 2006, Bioorganic & medicinal chemistry.

Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective

Christoph Rücker, Klaus Kümmerer, C. Rücker, 2012 .

On Kites, Comets, and Stars. Sums of Eigenvector Coefficients in (Molecular) Graphs

Gerta Rücker, Christoph Rücker, Ivan Gutman, 2002 .

Mathematical Chemistry and Chemoinformatics

Adalbert Kerber, Reinhard Laue, Emma L. Schymanski, 2013 .

Simplification in Synthesis

Gerta Rücker, Christoph Rücker, Steven H. Bertz, 2003 .