Good resources on chemical graph theory

Question

Are there some good resources on chemical graph theory, mainly some covering even the recent results (past 2000)?

Thanks in advance for any help.

Answer 1

A few years ago, when I was looking at graduate school, I too looked at using graph theory in chemistry. Unfortunately, I had very little success finding people actively in this field. However, I was in contact with one professor named Dr. Subhash Basak at University of Minnesota, Duluth. He wrote in an email exchange with me:

"My major area of research is chemical graph theory and its application to quantitative structure-activity relationship (QSAR), chemoinformatics, bioinformatics, and toxicoinformatics."

He sent me a bunch of papers, but he also noted that most of his colleagues were either retiring or already retired, so I'm not sure how big chemical graph theory is anymore. He's extremely friendly and knowledgeable, and could certainly give you a good idea about updates in this field. His email is: [email protected]. Everyone else I talked to was either Professor Emeritus, or had looked into graph theory a bit, but then decided to do a different project.

Answer 2

Gutman, I.: Chemical Graph Theory—The Mathematical Connection. Advances in Quantum Chemistry 51 (2006) 125-138

García-Domenech, R.; Gálvez, J.; De Julián-Ortiz, J. V.; Pogliani, L.: Some New Trends in Chemical Graph Theory. Chemical Reviews 108 (2008) (3) 1127-1169

Wagner, St.; Hua Wang: Introduction to Chemical Graph Theory. Chapman and Hall/CRC, 2018

Paulo C. S. Costa, P. C. S.; Evangelista, J. S.; Leal, I.; Miranda, P. C. M. L.: Chemical Graph Theory for Property Modeling in QSAR and QSPR—Charming QSAR & QSPR. Mathematics 9n (2021) (1) 60

International Conference on Chemical Graph Theory and Applications