Predicting Dyspnea Inducers by Molecular Topology

QSAR based on molecular topology (MT) is an excellent methodology used in predicting physicochemical and biological properties of compounds. This approach is applied here for the development of a mathematical model capable to recognize drugs showing dyspnea as a side effect. Using linear discriminan...

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Bibliographic Details
Published in:Journal of chemistry 2013-01, Vol.2013 (2013), p.1-11
Main Authors: Gálvez-Llompart, María, Gálvez, Jorge, García-Domenech, Ramón, Kier, Lemont B.
Format: Article
Language:English
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Summary:QSAR based on molecular topology (MT) is an excellent methodology used in predicting physicochemical and biological properties of compounds. This approach is applied here for the development of a mathematical model capable to recognize drugs showing dyspnea as a side effect. Using linear discriminant analysis, it was found a four-variable regression equations enabling a predictive rate of about 81% and 73% in the training and test sets of compounds, respectively. These results demonstrate that QSAR-MT is an efficient tool to predict the appearance of dyspnea associated with drug consumption.
ISSN:2090-9063
2090-9071
DOI:10.1155/2013/798508