Abstract
In many physiochemical and biological phenomena, molecules have to comply with multiple optimized biophysical feature constraints. Mathematical modeling of these biochemical problems consequently results in multi-objective optimization. This study presents a special fast non-dominated sorting genetic algorithm (GA) incorporating different types of mutation (referred to as MSNSGA-II) for resolving multiple diverse requirements for molecule bioactivity with an early convergence in a comparable low number of generations. Hence, MSNSGA-II is based on a character codification and its performance is benchmarked via a specific three-dimensional optimization problem. Three objective functions are provided by the BioJava library: Needleman Wunsch algorithm, hydrophilicity and molecular weight. The performance of our proposed algorithm is tested using several mutation operators: A deterministic dynamic, a self-adaptive, a dynamic adaptive and two further mutation schemes with mutation rates based on the Gaussian distribution. Furthermore, we expose the comparison of MSNSGA-II with the classic NSGA-II in performance.
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Rosenthal, S., El-Sourani, N., Borschbach, M. (2012). Introduction of a Mutation Specific Fast Non-dominated Sorting GA Evolved for Biochemical Optimizations. In: Bui, L.T., Ong, Y.S., Hoai, N.X., Ishibuchi, H., Suganthan, P.N. (eds) Simulated Evolution and Learning. SEAL 2012. Lecture Notes in Computer Science, vol 7673. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-34859-4_16
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DOI: https://doi.org/10.1007/978-3-642-34859-4_16
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