NG-DTA: Drug-target affinity prediction with n-gram molecular graphs

Drug-target affinity (DTA) prediction is crucial to speed up drug development. The advance in deep learning allows accurate DTA prediction. However, most deep learning methods treat protein as a 1D string which is not informative to models compared to a graph representation. In this paper, we presen...

Full description

Saved in:
Bibliographic Details
Main Authors: Tsui, Lok-In, Hsu, Te-Cheng, Lin, Che
Format: Conference Proceeding
Language:English
Subjects:
Biological system modeling
Deep learning
Drug Development
Drugs
Graph neural networks
Mean square error methods
Neural Networks, Computer
Predictive models
Proteins
Records
Online Access:Request full text
Tags: Add Tag
No Tags, Be the first to tag this record!