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Prediction on the Inhibition Ratio of Pyrrolidine Derivatives on Matrix Metalloproteinase Based on Gene Expression Programming
Joint Authors
Yuqin, Li
Si, Hongzong
Jia, Baoxiu
You, Guirong
Yao, Xiaojun
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-05-22
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
Quantitative structure-activity relationships (QSAR) were developed to predict the inhibition ratio of pyrrolidine derivatives on matrix metalloproteinase via heuristic method (HM) and gene expression programming (GEP).
The descriptors of 33 pyrrolidine derivatives were calculated by the software CODESSA, which can calculate quantum chemical, topological, geometrical, constitutional, and electrostatic descriptors.
HM was also used for the preselection of 5 appropriate molecular descriptors.
Linear and nonlinear QSAR models were developed based on the HM and GEP separately and two prediction models lead to a good correlation coefficient (R2) of 0.93 and 0.94.
The two QSAR models are useful in predicting the inhibition ratio of pyrrolidine derivatives on matrix metalloproteinase during the discovery of new anticancer drugs and providing theory information for studying the new drugs.
American Psychological Association (APA)
Yuqin, Li& You, Guirong& Jia, Baoxiu& Si, Hongzong& Yao, Xiaojun. 2014. Prediction on the Inhibition Ratio of Pyrrolidine Derivatives on Matrix Metalloproteinase Based on Gene Expression Programming. BioMed Research International،Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-454858
Modern Language Association (MLA)
Yuqin, Li…[et al.]. Prediction on the Inhibition Ratio of Pyrrolidine Derivatives on Matrix Metalloproteinase Based on Gene Expression Programming. BioMed Research International No. 2014 (2014), pp.1-8.
https://search.emarefa.net/detail/BIM-454858
American Medical Association (AMA)
Yuqin, Li& You, Guirong& Jia, Baoxiu& Si, Hongzong& Yao, Xiaojun. Prediction on the Inhibition Ratio of Pyrrolidine Derivatives on Matrix Metalloproteinase Based on Gene Expression Programming. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-454858
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-454858