A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules
Journal of Chemical Information and Computer Sciences2004Vol. 44(3), pp. 1079–1087
Citations Over TimeTop 10% of 2004 papers
Abstract
In this paper we propose a novel graph-based genetic algorithm for the evolution of novel molecular graphs from a predefined set of elements or molecular fragments with an external objective function. A brief overview of existing genetic algorithm approaches in molecular design is provided followed by a description of our approach. The paper continues to suggest a novel application of this program to the multiobjective evolution of median molecules that are structurally representative of a set of objective molecules. We conclude with a summary of our initial results along with a discussion of a variety of improvements and applications of our approach.
Related Papers
- → How Firm Are the Foundations of Mind-Set Theory? The Claims Appear Stronger Than the Evidence(2020)129 cited
- → Discovery of Reliable Attitude Change Persistence Resulting from a Transmitter Tuning Set(1990)32 cited
- OPTIMAL PLACEMENT OF MRFD USING IMPROVED GENETIC ALGORITHMS(2004)
- Research on Behavioral Biases of Student Evaluation of Teaching in Universities(2012)
- → Solving Multiobjective Environmentally Friendly and Economically Feasible Electric Power Distribution Problem by Primal-Dual Interior-Point Method(2023)