Advancing drug discovery via GPU-based deep learning

Expert Opin Drug Discov. 2018 Jul;13(7):579-582. doi: 10.1080/17460441.2018.1465407. Epub 2018 Apr 18.

Authors

Erik Gawehn¹, Jan A Hiss¹, J B Brown², Gisbert Schneider¹

Affiliations

¹ a Department of Chemistry and Applied Biosciences , Swiss Federal Institute of Technology (ETH) , Zurich , Switzerland.
² b Laboratory for Molecular Biosciences, Life Science Informatics Research Unit , Kyoto University Graduate School of Medicine , Kyoto , Japan.

PMID: 29668343
DOI: 10.1080/17460441.2018.1465407

No abstract available

Keywords: Artificial neural network; chemoinformatics; drug design; graphics processing unit; virtual screening.

Publication types

Editorial
Research Support, Non-U.S. Gov't

MeSH terms

Computer Graphics*
Deep Learning*
Drug Discovery / methods*
Humans
Neural Networks, Computer