Pattern recognition of chemical compounds using multiple dose-response curves
by Jiao Chen; Tianhong Pan; Shan Chen; Xiaobo Zou; Kaili Xu
International Journal of Data Mining and Bioinformatics (IJDMB), Vol. 19, No. 2, 2017

Abstract: To determine distinct chemical properties characterised by Mechanism of Action (MoA), a pattern recognition algorithm using multiple dose-response curves is developed in this paper. By monitoring the dynamic time-dependent cellular response profiles (TCRPs) of living cells via Real Time Cellular Analyser, changes in cell number caused by different MoAs are recorded as a time series. Based on the toxic-effect observed in TCRPs, a dose-response curve is established, which reflect the cytotoxicity of the tested chemicals. Features, which reflect the levels of cytotoxicity, are extracted from the dose-response curves. And the singular value decomposition (SVD) is taken to reduce the effect of collinearity in the extracted features. A k-means clustering method with deterministic initial centres is employed to classify the compressed features. As a result, the tested chemicals are classified into several groups. The proposed method enables relatively high throughput screening for chemical recognition at the cellular level.

Online publication date: Thu, 11-Jan-2018

The full text of this article is only available to individual subscribers or to users at subscribing institutions.

 
Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.

Pay per view:
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.

Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Data Mining and Bioinformatics (IJDMB):
Login with your Inderscience username and password:

    Username:        Password:         

Forgotten your password?


Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.

If you still need assistance, please email subs@inderscience.com