计算机科学
药物靶点
人工神经网络
人工智能
药品
卷积神经网络
药物发现
药物开发
化学空间
特征(语言学)
二元分类
机器学习
特征向量
模式识别(心理学)
图形
支持向量机
生物信息学
医学
理论计算机科学
药理学
生物
哲学
语言学
作者
Qingyu Tian,Mao Ding,Hui Yang,Caibin Yue,Yue Zhong,Zhenzhen Du,Dayan Liu,Jiali Liu,Yufeng Deng
标识
DOI:10.2174/1386207324666210215101825
摘要
We used the Davis and Kiba datasets, using 80% of the data for training and 20% of the data for validation. Our model showed better performance when compared with the experimental results of GraphDTA Conclusion: In this paper, we altered the GraphDTA model to predict drug-target affinity. It represents the drug as a graph and extracts the two-dimensional drug information using a graph convolutional neural network. Simultaneously, the drug and protein targets are represented as a word vector, and the convolutional neural network is used to extract the time-series information of the drug and the target. We demonstrate that our improved method has better performance than the original method. In particular, our model has better performance in the evaluation of benchmark databases.
科研通智能强力驱动
Strongly Powered by AbleSci AI