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Deep learning for chemical reaction prediction

2017210 citationsJournal Article

Authors

David Fooshee · Irvine Valley College

Aaron Mood · Irvine Valley College

Eugene S. Gutman · Irvine Valley College

Mohammadamin Tavakoli · Irvine Valley College

Gregor Urban · Irvine Valley College

Frances Liu · Irvine Valley College

Nancy O. Huynh ·

Abstract

We describe a deep learning-based system for predicting chemical reactions and identifying experimentally-observed masses.

Topics & Keywords

Machine Learning in Materials Science Computational Drug Discovery Methods Protein Structure and Dynamics

Publication Details

Published in: Molecular Systems Design & Engineering

Volume 3, Issue 3, pp. 442-452

DOI: 10.1039/c7me00107j

Field-Weighted Citation Impact: 8.06

Deep learning for chemical reaction prediction | Researchclopedia

Irvine Valley College

David L. Van Vranken · Irvine Valley College

Pierre Baldi · Irvine Valley College