Multi-channel PINN: investigating scalable and transferable neural networks for drug discovery

Multi-channel PINN: investigating scalable and transferable neural networks for drug discovery

Abstract Analysis of compound–protein interactions (CPIs) has become a crucial prerequisite for drug discovery and drug repositioning. In vitro experiments are commonly used in identifying CPIs, but it is not feasible to discover the molecular and proteomic space only through experimental approaches...

Full description

Bibliographic Details
Main Authors: Munhwan Lee, Hyeyeon Kim, Hyunwhan Joe, Hong-Gee Kim
Format: Article
Language:English
Published: BMC 2019-07-01
Series:Journal of Cheminformatics
Subjects:
Deep neural networks
Machine learning
Compound–protein interaction
Proteochemometrics
Cheminformatics
Online Access:http://link.springer.com/article/10.1186/s13321-019-0368-1

Internet

http://link.springer.com/article/10.1186/s13321-019-0368-1

Similar Items