Good resources on chemical graph theory Are there some good resources on chemical graph theory, mainly some covering even the recent results (past 2000)?
Thanks in advance for any help.
 A: 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: sbasak@nrri.umn.edu. 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.
A: You might be interested in the following paper, which reviews the theory of chemical reaction networks and the contributions of Filipino scientists to it.   Quoting the abstract: "The modern theory of chemical reaction networks began in the early 1970's with the work of American chemical engineers and chemists from Canada and Russia. The field was reshaped at the turn of the century with the emergence of systems biology and biologists, computer scientists, mathematicians, and researchers from other disciplines joining the collaborative efforts."
Quoting part of pages 1 to 2: "Chemical reaction networks are collections of interdependent chemical reactions. Each reaction is represented as an ordered pair of vectors (called complexes) of chemical species and depicted as a directed arrow from the reactant complex to the product complex.  The interdependence of the reactions results in the description of the network as a directed graph (or digraph).  Each reaction is assigned a kinetic function – the product of a positive number (called the rate constant) denoting its assumed constant speed and a non-negative function of the concentrations of the chemical species specifying its interaction with other reactions. The kinetic function is typically chosen to be differentiable so that the dynamics of the chemical kinetic system is described by a system of ordinary differential equations (ODEs). The mathematical theory of chemical reaction networks and their kinetics, or CRNT as it is usually called, thus combines concepts and methods from the theory of digraphs, of vectors and matrices (linear algebra), and of dynamical systems (systems described by ODEs)."
A: 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
