Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments-Reference-Cited by-同舟云学术

Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

Published:2004-03-23 Issue:3 Volume:44 Page:771-792
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Elyashberg Mikhail E.¹,Blinov Kirill A.¹,Williams Antony J.¹,Molodtsov Sergey G.¹,Martin Gary E.¹,Martirosian Eduard R.¹

Affiliation:

1. Advanced Chemistry Development, Moscow Department, 6 Akademik Bakulev Street, Moscow 117513, Russian Federation, Advanced Chemistry Development, Inc., 90 Adelaide Street West, Suite 600, Toronto, Ontario, M5H 3V9 Canada, Novosibirsk Institute of Organic Chemistry, Siberian Branch of Russian Academy of Science, Lavrentiev Avenue 9, Novosibirsk 630090, Russia, and Rapid Structure Characterization Group, Global Research and Development, Pfizer, Kalamazoo, Michigan 49001-0199

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci0341060

Reference38 articles.

1. An expert system for automated structure elucidation utilizing 1 H- 1 H, 13 C- 1 H and 15 N- 1 H 2D NMR correlations

2. Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data

3. X-PERT: a user-friendly expert system for molecular structure elucidation by spectral methods

4. Further development of structure generation in the automated structure elucidation system CHEMICS

Cited by 70 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. Accraspiroketides A-B, Phenylnaphthacenoid-Derived Polyketides with Unprecedented [6 + 6+6 + 6] + [5 + 5] Spiro-Architecture;Journal of Natural Products;2024-03-29

2. Impact of noise on inverse design: the case of NMR spectra matching;Digital Discovery;2024

3. (±) Camptothecol, a pair of ditetrahydrofuran lignans enantiomers from the fruit of Camptotheca acuminate and structure revision of biphenylneolignan;Journal of Molecular Structure;2024-01

4. Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation;Marine Drugs;2023-05-19

5. A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?;Journal of Chemical Education;2022-10-04