A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator
Author:
Publisher
Elsevier BV
Subject
Leadership and Management
Reference22 articles.
1. An expert system for the molecular structure elucidation based on spectral data;Elyashberg;J. Mol. Struct.,1991
2. X-Pert: an user-friendly expert system for the molecular structure elucidation by spectral methods;Elyashberg;Anal. Chim. Acta,1997
3. The role of two-dimensional nuclear magnetic resonance spectroscopy in computer-enhanced structure elucidation;Christie;J. Am. Chem. Soc.,1991
4. Recent advances in the automated structure elucidation system, chemics. Utilization of two-dimensional NMR spectral information and development of peripheral functions for examination of candidates;Funatsu;J. Chem. Inf. Comput. Sci.,1996
5. Fully automated structure elucidation — a spectroscopist's dream comes true;Will;J. Chem. Inf. Comput. Sci.,1996
Cited by 42 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. DeepSPInN – deep reinforcement learning for molecular structure prediction from infrared and 13C NMR spectra;Digital Discovery;2024
2. Sherlock—A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data;Molecules;2023-02-02
3. ACD/Structure Elucidator: 20 Years in the History of Development;Molecules;2021-11-01
4. Quantum Chemistry Calculations for Metabolomics;Chemical Reviews;2021-05-12
5. Database Independent Automated Structure Elucidation of Organic Molecules Based on IR, 1H NMR, 13C NMR, and MS Data;Journal of Chemical Information and Modeling;2020-12-30
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