Prediction and Analysis of Drug-Glycoprotein Interactions with Mutual Attention Neural Networks
Eiji Shinkawa, Koichi Nagatsuka, Yuki Murata, Tamiko Ono, Masae Hosoda, Kiyoko Flora Aoki-Kinoshita, Masayasu Atsumi · 2022 Joint 12th International Conference on Soft Computing and Intelligent Systems and 23rd International Symposium on Advanced Intelligent Systems (SCIS&ISIS) · 2022
This paper proposes Drug-Glycoprotein Mutual Attention models, a Glycan Frequency-Mediated Mutual Attention neural network and a Glycan Structure-Mediated Mutual Attention neural network, which aim to predict and analyze interactions between drugs and glycoproteins by focusing on the potential of glycans as drug targets and to find the appropriate encoding of glycan information for predicting the interaction between them. The experimental results show that the proposed Drug-Glycoprotein Mutual Attention models predicts interactions better than a drug-protein interaction prediction model and the prediction performance of Glycan Structure-Mediated Mutual Attention neural network is higher than the one of Glycan Frequency-Mediated Mutual Attention neural network.