As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. From theoretical chemistry and quantum chemistry to applied fields such as molecular modelling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. This book reviews research on chemoinformatics and chemical engineering that has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.