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- Publications
- Influence
Topological Indices and Related Descriptors in QSAR and QSPR
- J. Devillers, A. Balaban
- Mathematics
- 1999
1. No-Free-Lunch Molecular Descriptor in QSAR and QSPAR 2. The Graph Description of Chemical Structures 3. Matrices and Structural Descriptors Computed from Molecular Graph Distances 4. Molecular… Expand
Highly discriminating distance-based topological index
- A. Balaban
- Chemistry
- 2 July 1982
Abstract A new topological index J (based on distance sums s i as graph invariants) is proposed. For unsaturated or aromatic compounds, fractional bond orders are used in calculating s i . The… Expand
Aromaticity as a cornerstone of heterocyclic chemistry.
- A. Balaban, D. C. Oniciu, A. Katritzky
- Chemistry, Medicine
- Chemical reviews
- 17 April 2004
Topological indices for structure-activity correlations
- A. Balaban, I. Moţoc, D. Bonchev, O. Mekenyan
- Mathematics
- 1983
This chapter deals with the description of the main topological indices and of related indicatros for molecular constitution used in structure-activity relationships (QSAR). The topological indices… Expand
Graphical representation of proteins.
- M. Randíc, J. Zupan, A. Balaban, D. Vikić-Topić, D. Plavsic
- Chemistry, Medicine
- Chemical reviews
- 9 February 2011
6.8. Protein Profiles 823 7. Spectrum-like Representation of Proteins 824 8. Graphical Approach to Protein Alignment 825 9. Nongraphical Representation of Proteins 828 9.1. Representation of Proteins… Expand
Applications of graph theory in chemistry
- A. Balaban
- Mathematics, Computer Science
- J. Chem. Inf. Comput. Sci.
- 1 August 1985
TLDR
Topological indices based on topological distances in molecular graphs
- A. Balaban
- Chemistry
- 1983
Three new distance—based topological indices are described; two of them, D and D1 (mean distance topological indices, for any graphs, and for acyclic graphs, respectively) have a modest… Expand
From chemical topology to three-dimensional geometry
- A. Balaban
- Chemistry
- 2002
From Chemical Graphs to 3D Molecular Modeling A.T. Balaban. Descriptors of Molecular Shape in 3D P.G. Mezey. Algorithms for 3D Molecular Design and Applications to QSAR O. Mekenyan, G. Veith. Use of… Expand
Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach
- S. Basak, D. Mills, A. Balaban, B. Gute
- Chemistry, Computer Science
- J. Chem. Inf. Comput. Sci.
- 1 May 2001
TLDR