Advancing molecular graphs with descriptors for the prediction of chemical reaction yields-Reference-Cited by-同舟云学术

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Advancing molecular graphs with descriptors for the prediction of chemical reaction yields

Published:2022-10-20 Issue:2 Volume:44 Page:76-92
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Yarish Dzvenymyra¹,Garkot Sofiya¹²,Grygorenko Oleksandr O.³⁴,Radchenko Dmytro S.³⁴,Moroz Yurii S.⁴⁵^ORCID,Gurbych Oleksandr⁶⁷^ORCID

Affiliation:

1. SoftServe, Inc. Lviv Ukraine

2. Ukrainian Catholic University Lviv Ukraine

3. Enamine Ltd. Kyiv Ukraine

4. Taras Shevchenko National University of Kyiv Kyiv Ukraine

5. Chemspace LLC Kyiv Ukraine

6. Lviv Polytechnic National University Lviv Ukraine

7. Blackthorn AI, Ltd. London UK

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27016

Reference87 articles.

1. Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations

2. Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

3. B.Sanchez C.Outeiral G.Guimaraes A.Aspuru‐Guzik ChemRxiv2017 https://doi.org/10.26434/chemrxiv.5309668.v3.

4. A de novo molecular generation method using latent vector based generative adversarial network

5. Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

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4. Exploring Chemical Reaction Space with Machine Learning Models: Representation and Feature Perspective;Journal of Chemical Information and Modeling;2024-03-15

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