Boosting compound-protein interaction prediction by deep learning

K Tian, M Shao, Y Wang, J Guan, S Zhou - Methods, 2016 - Elsevier
K Tian, M Shao, Y Wang, J Guan, S Zhou
Methods, 2016Elsevier
The identification of interactions between compounds and proteins plays an important role in
network pharmacology and drug discovery. However, experimentally identifying compound-
protein interactions (CPIs) is generally expensive and time-consuming, computational
approaches are thus introduced. Among these, machine-learning based methods have
achieved a considerable success. However, due to the nonlinear and imbalanced nature of
biological data, many machine learning approaches have their own limitations. Recently …
Abstract
The identification of interactions between compounds and proteins plays an important role in network pharmacology and drug discovery. However, experimentally identifying compound-protein interactions (CPIs) is generally expensive and time-consuming, computational approaches are thus introduced. Among these, machine-learning based methods have achieved a considerable success. However, due to the nonlinear and imbalanced nature of biological data, many machine learning approaches have their own limitations. Recently, deep learning techniques show advantages over many state-of-the-art machine learning methods in some applications. In this study, we aim at improving the performance of CPI prediction based on deep learning, and propose a method called DL-CPI (the abbreviation of Deep Learning for Compound-Protein Interactions prediction), which employs deep neural network (DNN) to effectively learn the representations of compound-protein pairs. Extensive experiments show that DL-CPI can learn useful features of compound-protein pairs by a layerwise abstraction, and thus achieves better prediction performance than existing methods on both balanced and imbalanced datasets.
Elsevier
以上显示的是最相近的搜索结果。 查看全部搜索结果