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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

810 23

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

826 17- PDF

Aromaticity as a cornerstone of heterocyclic chemistry.

- A. Balaban, D. C. Oniciu, A. Katritzky
- Chemistry, Medicine
- Chemical reviews
- 17 April 2004

409 4- PDF

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

289 4

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

104 4

Applications of graph theory in chemistry

- A. Balaban
- Mathematics, Computer Science
- J. Chem. Inf. Comput. Sci.
- 1 August 1985

TLDR

284 3- PDF

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

273 3- PDF

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

213 3

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

80 3