This paper shows the different types of Computational methods that have been used far and wide over the years in the chemical industry. This has seen man be able to work more efficient and effective in the 21 st century. This innovation has made it possible to provide the highest quality end products ever imaginable. This is epitomized in our ‘chemical’ environment. The chemical industry is divided into two; commodity chemicals and specialty chemicals. The former focuses on products that are used to formulate more complex chemicals and products, while the latter deals with finished chemicals and chemical products with the exception of building materials. Computational methods aim at reducing the amount of experiments done in the industry so as to save time and money. It has also seen software’s and cost effective resources enabling technology to reach the point where predictive modeling can now be practiced and on that course giving remarkable and accurate results.