Predictive Modeling of NMR Chemical Shifts without Using Atomic-Level Annotations-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Predictive Modeling of NMR Chemical Shifts without Using Atomic-Level Annotations

Published:2020-07-21 Issue:8 Volume:60 Page:3765-3769
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kang Seokho¹^ORCID,Kwon Youngchun²³,Lee Dongseon²,Choi Youn-Suk²^ORCID

Affiliation:

1. Department of Industrial Engineering, Sungkyunkwan University, Jangan-gu, Suwon 16419, Republic of Korea

2. Samsung Advanced Institute of Technology, Samsung Electronics Co. Ltd., Yeongtong-gu, Suwon 16678, Republic of Korea

3. Department of Computer Science and Engineering, Seoul National University, Gwanak-gu, Seoul 08826, Republic of Korea

Funder

National Research Foundation of Korea

Samsung Advanced Institute of Technology

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00494

Reference15 articles.

1. Prediction of 1H NMR Chemical Shifts Using Neural Networks

2. Prediction of 1H NMR Coupling Constants with Associative Neural Networks Trained for Chemical Shifts

3. The Impact of Available Experimental Data on the Prediction of 1H NMR Chemical Shifts by Neural Networks

4. Structure-Based Predictions of 1H NMR Chemical Shifts Using Feed-Forward Neural Networks

5. Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks

Cited by 21 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. EFG‐CS: Predicting chemical shifts from amino acid sequences with protein structure prediction using machine learning and deep learning models;Protein Science;2024-07-09

2. Can Graph Machines Accurately Estimate 13C NMR Chemical Shifts of Benzenic Compounds?;Molecules;2024-07-01

3. Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks;Journal of Chemical Theory and Computation;2024-06-06

4. Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application;Acta Pharmaceutica Sinica B;2024-02

5. Universal neural network potentials as descriptors: towards scalable chemical property prediction using quantum and classical computers;Digital Discovery;2024

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3