A Multiobjective Optimization-Based Approach for Optimal Chemical Product Design

Over the past decades, chemical products have been constantly evolving to satisfy the demands and requirements of market. Hence, there is a continuous search for new and improved products which possess enhanced properties for specific applications. The conventional approach to produce new chemical products with specific functionality is based on design heuristics, experimental studies, and expert judgments. Other than the traditional methods, chemical products can also be designed by identifying the properties of the product by using the reverse engineering approach. This approach first identifies the needs to fulfill, and then searches for molecule/s that possess properties which can meet the target needs. On the basis of the approach, an optimal chemical product can be designed by identifying the molecule/s with the best properties that correspond with the target functionalities of the product. Most of the established chemical product design methodologies focus on optimizing a single property of a produ...

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