A personal account is presented for the present status of mathematical chemistry, with emphasis on non-numerical applications. These use mainly graph-theoretical concepts. Most computational chemical applications involve quantum chemistry and are therefore largely reducible to physics, while discrete mathematical applications often do not. A survey is provided for opinions and definitions of mathematical chemistry, and then for journals, books and book series, as well as symposia of mathematical chemistry.

By analysing a contemporary criticism to the so called “mathematical chemistry”, we discuss what we understand by mathematizing chemistry and its implications. We then pass to ponder on some positions on the subject by considering the cases of Laszlo, Venel and Diderot, opponents to the idea of mathematization of chemistry. In contrast, we analyse some scholars’ ideas on the fruitful relationship between mathematics and chemistry; here Dirac and Brown are considered. Finally, we mention that the mathematical–chemistry relationship should be considered (...) beyond the mere aspect of whether chemistry is or not able to be mathematized. This discussion is based upon opinions by Kant and Comte, the first one having two positions on chemistry based upon mathematics and the latter mooting the idea of doing chemistry with mathematical spirit. (shrink)