QSAR Study of the Anti-Cancer Activity of 38 Compounds in Different Cancer Cell Lines Based on Gene Expression Programming

Author:

Han Xiu Rui1,Li Xian Chao1,Si Hong Zong1,Ge Cui Zhu1,Gao Hua1,Zhai Hong Lin2

Affiliation:

1. Qingdao University

2. Lanzhou University

Abstract

Using the GEP,the QSAR model for anti-cancer activity of 38 compounds in 5 cancer cell lines was establish. These compounds are a novel class of anticarcinogen named tricyclic 5:7:5-fused diimidazo [4, 5-d:4, 5-f ][1, diazepines. The carcinoma cell lines involved in this research are A549 lung cancer, MCF-7 breast cancer, MDA-MB-231 breast cancer, OVCAR-3 ovarian cancer and PC-3 prostate cancer. Accuracies of these models in training group and test group are over 90%, showing perfect predictive ability. This QSAR model will be great valuable in providing guidance for future designing and synthesizing of anticancer drugs.

Publisher

Trans Tech Publications, Ltd.

Subject

General Engineering

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