Database Independent Automated Structure Elucidation of Organic Molecules Based on IR, 1H NMR, 13C NMR, and MS Data
Author:
Affiliation:
1. Faculty of Computer and Information Science, University of Ljubljana, Večna Pot 113, SI-1000 Ljubljana, Slovenia
2. Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna Pot 113, SI-1000 Ljubljana, Slovenia
Funder
Javna Agencija za Raziskovalno Dejavnost RS
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01332
Reference47 articles.
1. DENDRAL: A case study of the first expert system for scientific hypothesis formation
2. Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen
3. 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
Cited by 19 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. Biochar data into structure: A methodology for generating large-scale atomistic representations;Carbon;2024-09
2. Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy;2024-08-12
3. Enhancing Chemical Reaction Monitoring with a Deep Learning Model for NMR Spectra Image Matching to Target Compounds;Journal of Chemical Information and Modeling;2024-07-09
4. Cumulative Data of 1H and 13C NMR Signals and Specific Rotations of Eremophilane Sesquiterpenoids. 4. 10H-3-O-Furanoeremophilanes;Natural Product Communications;2024-05
5. Overcoming NMR line broadening of nitrogen containing compounds: A simple solution;Magnetic Resonance in Chemistry;2024-01-23
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