Comprehensive evaluation of deep and graph learning on drug-drug
  interactions prediction
Xuan Lin Lichang Dai Yafang Zhou Zu-Guo Yu Wen Zhang Jian-Yu Shi Dong-Sheng Cao Li Zeng Haowen Chen Bosheng Song Philip S. Yu Xiangxiang Zeng
Recent advances and achievements of artificial intelligence (AI) as well as
deep and graph learning models have established their usefulness in biomedical
applications, especially in drug-drug interactions (DDIs). DDIs refer to a
change in the effect of one drug to the presence of another drug in the human
body, which plays an essential role in drug discovery and clinical research.
DDIs prediction through traditional clinical trials and experiments is an
expensive and time-consuming process. To correctly apply the advanced AI and
deep learning, the developer and user meet various challenges such as the
availability and encoding of data resources, and the design of computational
methods. This review summarizes chemical structure based, network based, NLP
based and hybrid methods, providing an updated and accessible guide to the
broad researchers and development community with different domain knowledge. We
introduce widely-used molecular representation and describe the theoretical
frameworks of graph neural network models for representing molecular
structures. We present the advantages and disadvantages of deep and graph
learning methods by performing comparative experiments. We discuss the
potential technical challenges and highlight future directions of deep and
graph learning models for accelerating DDIs prediction.