Abstract:
:An improved binary differential search (improved BDS) algorithm is proposed for QSAR classification of diverse series of antimicrobial compounds against Candida albicans inhibitors. The transfer functions is the most important component of the BDS algorithm, and converts continuous values of the donor into discrete values. In this paper, the eight types of transfer functions are investigated to verify their efficiency in improving BDS algorithm performance in QSAR classification. The performance was evaluated using three metrics: classification accuracy (CA), geometric mean of sensitivity and specificity (G-mean), and area under the curve. The Kruskal-Wallis test was also applied to show the statistical differences between the functions. Two functions, S1 and V4, show the best classification achievement, with a slightly better performance of V4 than S1. The V4 function takes the lowest iterations and selects the fewest descriptors. In addition, the V4 function yields the best CA and G-mean of 98.07% and 0.977%, respectively. The results prove that the V4 transfer function significantly improves the performance of the original BDS.
journal_name
SAR QSAR Environ Resjournal_title
SAR and QSAR in environmental researchauthors
Al-Fakih AM,Algamal ZY,Lee MH,Aziz M,Ali HTMdoi
10.1080/1062936X.2019.1568298subject
Has Abstractpub_date
2019-02-01 00:00:00pages
131-143issue
2eissn
1062-936Xissn
1029-046Xjournal_volume
30pub_type
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