A Dataset of Computational Reaction Barriers for the Claisen Rearrangement: Chemical and Numerical Analysis-Reference-Cited by-同舟云学术

A Dataset of Computational Reaction Barriers for the Claisen Rearrangement: Chemical and Numerical Analysis

Published:2021-10-18 Issue: Volume: Page:2100216
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Okada Hiroaki¹,Maeda Satoshi²³⁴⁵^ORCID

Affiliation:

1. Graduate School of Chemical Sciences and Engineering Hokkaido University Sapporo Hokkaido 060-8628 Japan

2. Department of Chemistry, Graduate School of Science Hokkaido University Sapporo Hokkaido 060-0810 Japan

3. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD) Hokkaido University Sapporo Hokkaido 001-0021 Japan

4. ERATO Maeda Artificial Intelligence for Chemical Reaction Design and Discovery Project Hokkaido University Sapporo Hokkaido 060-0810 Japan

5. Research and Services Division of Materials Data and Integrated System (MaDIS) National Institute for Materials Science (NIMS) Tsukuba Ibaraki 305-0044 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.202100216

Reference40 articles.

1. Using a Genetic Algorithm To Suggest Combinatorial Libraries

2. Effect of the Genetic Algorithm Parameters on the Optimisation of Heterogeneous Catalysts

3. Application of a genetic algorithm and a neural network for the discovery and optimization of new solid catalytic materials

4. Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm

5. Evolutionary combinatorial chemistry: application of genetic algorithms

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. On Accelerating Substrate Optimization Using Computational Gibbs Energy Barriers: A Numerical Consideration Utilizing a Computational Data Set;ACS Omega;2024-01-29

2. Editorial: Chemical Reactions Mining;Molecular Informatics;2022-04-07