Predicting Dyspnea Inducers by Molecular Topology
María Gálvez-Llompart, Jorge Gálvez, Ramón García‐Domenech, Lemont B. Kier · Journal of Chemistry · 2012
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.