Enhanced Harris hawks optimization with genetic operators for selection chemical descriptors and compounds activities

Abstract

This paper presents modified versions of a recent swarm intelligence algorithm called Harris hawks optimization (HHO) via incorporating genetic operators (crossover and mutation CM) boosted by two strategies of (opposition-based learning and random opposition-based learning) to provide perfect balance between intensification and diversification and to explore efficiently the search space in order to jump out local optima. Three modified versions of HHO termed as HHOCM, OBLHHOCM and ROBLHHOCM enhance the exploitation ability of solutions and improve the diversity of the population. The core exploratory and exploitative processes of the modified versions are adapted for selecting the most important molecular descriptors ensuring high classification accuracy. The Wilcoxon rank sum test is conducted to assess the performance of the HHOCM and ROBLHHOCM algorithms. Two common datasets of chemical information are used in the evaluation process of HHOCM variants, namely Monoamine Oxidase and QSAR Biodegradation datasets. Experimental results revealed that the three modified algorithms provide competitive and superior performance in terms of finding optimal subset of molecular descriptors and maximizing classification accuracy compared to several well-established swarm intelligence algorithms including the original HHO, grey wolf optimizer, salp swarm algorithm, dragonfly algorithm, ant lion optimizer, grasshopper optimization algorithm and whale optimization algorithm.