Prediction of Reaction Yield for Buchwald‐Hartwig Cross‐coupling Reactions Using Deep Learning-Reference-Cited by-同舟云学术

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Prediction of Reaction Yield for Buchwald‐Hartwig Cross‐coupling Reactions Using Deep Learning

Published:2021-09-29 Issue:2 Volume:41 Page:2100156
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Molecular Informatics

Author:

Sato Akinori¹^ORCID,Miyao Tomoyuki¹²,Funatsu Kimito²

Affiliation:

1. Graduate School of Science and Technology Nara Institute of Science and Technology 8916-5 Takayama-cho Ikoma Nara 630-0192 Japan

2. Data Science Center Nara Institute of Science and Technology 8916-5 Takayama-cho Ikoma Nara 630-0192 Japan

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202100156

Reference48 articles.

1. Machine Learning Approach for Prediction of Reaction Yield with Simulated Catalyst Parameters

2. Estimation of catalytic performance by neural network — product distribution in oxidative dehydrogenation of ethylbenzene

3. Experimental Validation of Hydrogen Atom Transfer Gibbs Free Energy as a Predictor of Nitroaromatic Reduction Rate Constants

4. Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: A QSAR study

5. The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants

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