Title :
Improved gene expression programming and its application to QSAR
Author :
Fu, Weizhong ; Zhang, Yuntao ; Cheng, Zhengjun
Author_Institution :
Inst. of Appl. Chem., China West Normal Univ., Nanchong, China
Abstract :
In the paper, the improved gene expression programming (IGEP) is proposed to develop a quantitative structure-activity relationship (QSAR) model of 70 compounds for O-(2-phthalimidoethyl)-N-substituted thiocarbamates and their ring-opened congeners as HIV-1 Inhibitors based on radial distribution function (RDF) descriptors for the first time. The replacement method (RM) is used as feature selection (descriptor selection). The five models (MLR, GEP, MC_GEP, IGEP, and SVM) are compared. The results show that IGEP has a good prediction ability.
Keywords :
biocomputing; evolutionary computation; radial basis function networks; 0-(2-phthalimidoethyl)-N-substituted thiocarbamates; HIV-1 Inhibitors; QSAR; RDF descriptors; acquired immune deficiency syndrome; descriptor selection; feature selection; improved gene expression programming; quantitative structure-activity relationship model; radial distribution function descriptors; replacement method; ring-opened congeners; Adaptation model; Biological cells; Gene expression; Inhibitors; Programming; Simulated annealing; Support vector machines; HIV-1 Inhibitors; Improving gene expression programming; Quantitative structure-activity relationship; Radial distribution function descriptors;
Conference_Titel :
Natural Computation (ICNC), 2010 Sixth International Conference on
Conference_Location :
Yantai, Shandong
Print_ISBN :
978-1-4244-5958-2
DOI :
10.1109/ICNC.2010.5584850
