Author pages are created from data sourced from our academic publisher partnerships and public sources.

Publications Influence

Share This Author

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
- Physics
- 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

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

Applications of graph theory in chemistry

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

TLDR

Topological indices for structure-activity correlations

- A. Balaban, I. Motoc, 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

Aromaticity as a cornerstone of heterocyclic chemistry.

- A. Balaban, D. Oniciu, A. Katritzky
- Chemistry, MedicineChemical reviews
- 17 April 2004

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

Chemical graphs—V : Enumeration and proposed nomenclature of benzenoid cata-condensed polycyclic aromatic hydrocarbons

- A. Balaban, F. Harary
- Chemistry
- 1968

Abstract A modified definition is proposed for cata-condensed aromatic hydrocarbons. A formula is devised for the number of isomers of non-branched cata-condensed arenes in function of the number 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 ScienceJ. Chem. Inf. Comput. Sci.
- 1 May 2001

TLDR

...

1

2

3

4

5

...