Graph theoretical invariants of chemical and biological systems: Development and applications

Subhash C. Basak, Ramanathan Natarajan, Dilip K. Sinha

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Chemical graph theory has been extensively applied in the characterization of structure in many areas of science, chemistry and biology in particular. Numerical graph invariants ofmolecules or topological indices have been used in the characterization of structure, discrimination of pathological structures like isospectral graphs, prediction of property/ bioactivity of molecules for new drug discovery and environment protection as well as quantification of intermolecular similarity. More recently, methods of discrete mathematics have found applications in the characterization of complex biological objects like DNA/ RNA/ protein sequences and proteomics maps. This chapter reviews the latest results in applications of discrete mathematics, graph theory in particular, to chemical and biological systems.

Original languageEnglish (US)
Title of host publicationApplied Mathematics
EditorsSusmita Sarkar, Uma Basu, S. Soumen De
PublisherSpringer New York LLC
Number of pages8
ISBN (Print)9788132225461
StatePublished - 2015
Externally publishedYes
EventEmerging Trends in Applied Mathematics, 2014 - Kolkata, India
Duration: Feb 12 2014Feb 14 2014

Publication series

NameSpringer Proceedings in Mathematics and Statistics
ISSN (Print)2194-1009
ISSN (Electronic)2194-1017


OtherEmerging Trends in Applied Mathematics, 2014

Bibliographical note

Publisher Copyright:
© Springer India 2015.


  • Adjacency matrix
  • Chirality
  • Distance
  • Dna sequence and proteomics maps
  • Edges
  • Hydrogen-filled graph
  • Hydrogen-suppressed graph
  • Isospectral graphs
  • Molecular similarity
  • Pathological graphs
  • Topological indices
  • Vertices


Dive into the research topics of 'Graph theoretical invariants of chemical and biological systems: Development and applications'. Together they form a unique fingerprint.

Cite this