When SMILES Smiles, Practicality Judgment and Yield Prediction of Chemical Reaction via Deep Chemical Language Processing

When SMILES Smiles, Practicality Judgment and Yield Prediction of Chemical Reaction via Deep Chemical Language Processing

Simplified Molecular Input Line Entry System (SMILES) provides a text-based encoding method to describe the structure of chemical species and formulize general chemical reactions. Considering that chemical reactions have been represented in a language form, we present a symbol only model to generall...

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Bibliographic Details
Main Authors: Shu Jiang, Zhuosheng Zhang, Hai Zhao, Jiangtong Li, Yang Yang, Bao-Liang Lu, Ning Xia
Format: Article
Language:English
Published: IEEE 2021-01-01
Series:IEEE Access
Subjects:
Chemical reaction
practicality judgment
yield prediction
machine learning
Online Access:https://ieeexplore.ieee.org/document/9440947/

Internet

https://ieeexplore.ieee.org/document/9440947/

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