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

Volume

8

fYear

2010

fDate

10-12 Aug. 2010

Firstpage

4057

Lastpage

4061

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;

fLanguage

English

Publisher

ieee

Conference_Titel

Natural Computation (ICNC), 2010 Sixth International Conference on

Conference_Location

Yantai, Shandong

Print_ISBN

978-1-4244-5958-2

Type

conf

DOI

10.1109/ICNC.2010.5584850

Filename

5584850