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Predicting Dyspnea Inducers by Molecular Topology
oleh: María Gálvez-Llompart, Jorge Gálvez, Ramón García-Domenech, Lemont B. Kier
Format: | Article |
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Diterbitkan: | Hindawi Limited 2013-01-01 |
Deskripsi
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.