Recent Progresses of Deep Learning in Drug Discovery.

Abstract

Deep learning, an emerging field of artificial intelligence based on neural network in machine learning, has been applied in various fields and is highly valued. Herein we mainly review several mainstream architectures in deep learning, including deep neural networks, convolutional neural networks and recurrent neural networks in the field of drug discovery. The applications of several architectures in molecular de novo design, property prediction, biomedical imaging and synthetic planning have also been explored. We also discuss the future direction of the deep learning approaches and the main challenges we need to address.