High‐dimensional QSAR classification model for anti‐hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty
Zakariya Yahya Algamal, Muhammad Hisyam Lee, Abdo Mohammed Al‐Fakih, Madzlan Aziz · Journal of Chemometrics · 2017
This study addresses the problem of the high‐dimensionality of quantitative structure‐activity relationship (QSAR) classification modeling. A new selection of descriptors that truly affect biological activity and a QSAR classification model estimation method are proposed by combining the sparse logistic regression model with a bridge penalty for classifying the anti‐hepatitis C virus activity of thiourea derivatives. Compared to other commonly used sparse methods, the proposed method shows superior results in terms of classification accuracy and model interpretation.