Genetic Algorithm In Chemistry [algoritmo Genético Em Química]

Genetic algorithm is an optimization technique based on Darwin evolution theory. In last years its application in chemistry is increasing significantly due the special characteristics for optimization of complex systems. The basic principles and some further modifications implemented to improve its performance are presented, as well as a historical development. A numerical example of a function optimization is also shown to demonstrate how the algorithm works in an optimization process. Finally several chemistry applications realized until now is commented to serve as parameter to future applications in this field.223405411Sharaf, M.A., Illman, D.L., Kowalski, B.R., (1986) Chemometrics, , John Wiley & Sons, New YorkJang, J.S.R., Sun, C.T., Mizutani, E., (1997) Neuro-Fuzzy and Soft Computing, , Prentice Hall, Upper Saddle RiverBruns, R.E., Scarminio, I.S., Neto, B.B., (1995) Planejamento e Otimização de Experimentos, , Editora da Universidade Estadual de CampinasCartwright, H.M., (1995) Applications of Artificial Intelligence in Chemistry, , Oxford Science Publications, New YorkRuse, M., (1982) Darwinism Defended. A Guide to the Evolution Controversies, , John Wiley & Sons, New YorkGoldberg, D.E., (1989) Genetic Algorithms in Search, Optimization, and Machine Learnig, , Addison-Wesley, ReadingLucasius, C.B., Kateman, G., (1993) Chemom. Intell. Lab. Syst., 19, p. 1Lucasius, C.B., Kateman, G., (1991) Trends Anal. Chem., 10, p. 254Koza, J.R., (1992) Genetic Pogramming: On the Programming of Computers by Means of Natural Selection, , Cambridge Universty PressFogel, L.J., Owens, A.J., Walsh, M.J., (1996) Artificial Intelligence Through Simulated Evolution, , WileyRechenberg, I., (1973) Evolutionstragegie: Optimierung Technischer Systeme nach Prinzipien der Biologischen Evolution, , Frommann-HolzboogSnir, M., Otto, S., Huss-Lederman, S., Walker, D., Dongarra, J., (1996) MPI : The Complete Reference, , The MIT Press-Cambridge, MassachusettsZupan, J., Gasteiger, J., (1993) Neural Networks for Chemists, , VCH, WeinheimBos, M., Weber, H.T., (1991) Anal. Chim. Acta, 247, p. 97Fontain, E., (1992) Anal. Chim. Acta, 265, p. 227Broudiscou, A., Leardi, R., Phan-Tan-Luu, R., (1996) Chemom. Intell. Lab. Syst, 35, p. 105Wienke, D., Lucasius, C., Ehrlich, M., Kateman, G., (1993) Anal. Chim. Acta, 271, p. 253Hartnett, M.K., Bos, M., Van-Der-Linden, W.E., Diamond, D., (1995) Anal. Chim. Acta, 316, p. 347Leardi, R., (1994) J. Chemom., 8, p. 65Walczak, B., (1995) Chemom. Intell. Lab. Syst., 28, p. 259Lopes-Marques, R.M., Schoenmakers, P.J., Lucasius, C.B., Buyden, L., (1993) Chromatographia, 36, p. 83Hibbert, D.B., (1993) Chemom. Intell. Lab. Syst., 19, p. 319Wienkc, D., Lucasius, C., Kateman, G., (1992) Anal. Chim. Acta, 265, p. 211Blommers, M.J.J., Lucasius, C.B., Kateman, G., Kaptein, R., (1992) Biopolymers, 32, p. 45Bangalore, A.S., Shaffer, R.E., Small, G.W., Arnold, M.A., (1996) Anal. Chem., 68, p. 4200Jouan-Rimbaud, D., Massart, D.L., Leardi, R., De-Noord, O.E., (1995) Anal. Chem., 67, p. 4295Martens, H., Naes, T., (1989) Multivariate Calibration, , John Wiley & Sons, New Yor