A deep learning model for predicting selected organic molecular spectra
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computer Networks and Communications,Computer Science Applications,Computer Science (miscellaneous)
Link
https://www.nature.com/articles/s43588-023-00550-y.pdf
Reference38 articles.
1. Chen, D., Wang, Z., Guo, D., Orekhov, V. & Qu, X. Review and prospect: deep learning in nuclear magnetic resonance spectroscopy. Chem. Eur. J. 26, 10391–10401 (2020).
2. Qu, X. et al. Accelerated nuclear magnetic resonance spectroscopy with deep learning. Angew. Chem. 132, 10383–10386 (2020).
3. Ghosh, K. et al. Deep learning spectroscopy: neural networks for molecular excitation spectra. Adv. Sci. 6, 1801367 (2019).
4. Ye, S. et al. A machine learning protocol for predicting protein infrared spectra. J. Am. Chem. Soc. 142, 19071–19077 (2020).
5. Chen, Z. & Yam, V. W.-W. Machine-learned electronically excited states with the MolOrbImage generated from the molecular ground state. J. Phys. Chem. Lett. 14, 1955–1961 (2023).
Cited by 15 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. Large-language models: The game-changers for materials science research;Artificial Intelligence Chemistry;2024-12
2. Unsupervised Machine Learning in the Analysis of Nonadiabatic Molecular Dynamics Simulation;The Journal of Physical Chemistry Letters;2024-09-13
3. Charge govern ion-selective mechanism of YX2 desalination pore using high-throughput computations and machine learning;Desalination;2024-09
4. Quantum Chemistry Dataset with Ground- and Excited-state Properties of 450 Kilo Molecules;Scientific Data;2024-08-29
5. AI in analytical chemistry: Advancements, challenges, and future directions;Talanta;2024-07
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