Using stochastic computing for virtual screening acceleration
File(s)electronics-10-02981-v2.pdf (2.11 MB)
Published version
Author(s)
Frasser, Christiam F
Benito, Carola de
Skibinsky-Gitlin, Erik S
Canals, Vincent
Font-Rosselló, Joan
Type
Journal Article
Abstract
Stochastic computing is an emerging scientific field pushed by the need for developing high-performance artificial intelligence systems in hardware to quickly solve complex data processing problems. This is the case of virtual screening, a computational task aimed at searching across huge molecular databases for new drug leads. In this work, we show a classification framework in which molecules are described by an energy-based vector. This vector is then processed by an ultra-fast artificial neural network implemented through FPGA by using stochastic computing techniques. Compared to other previously published virtual screening methods, this proposal provides similar or higher accuracy, while it improves processing speed by about two or three orders of magnitude.
Date Issued
2021-11-30
Date Acceptance
2021-11-26
Citation
Electronics, 2021, 10 (23)
ISSN
2079-9292
Publisher
MDPI AG
Journal / Book Title
Electronics
Volume
10
Issue
23
Copyright Statement
© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
License URL
Identifier
https://doi.org/10.3390/electronics10232981
Publication Status
Published
Article Number
2981
Date Publish Online
2021-11-30