Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Rostislav Pol"'
Publikováno v:
Magnetic Resonance in Chemistry. 50:429-435
Automated structure verification using 1H NMR data or a combination of 1H and heteronuclear single-quantum correlation (HSQC) data is gaining more interest as a routine application for qualitative evaluation of large compound libraries produced by sy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c934fdc35d2b7d9e9cf17e6616288897
https://doi.org/10.1002/mrc.3818
https://doi.org/10.1002/mrc.3818
Autor:
Randy D. Rutkowske, Sergey S. Golotvin, Antony J. Williams, Timothy D. Spitzer, Brent A. Lefebvre, Rostislav Pol, Eugene Vodopianov
Publikováno v:
Magnetic Resonance in Chemistry. 45:803-813
A method for structure validation based on the simultaneous analysis of a 1D 1H NMR and 2D 1H13C single-bond correlation spectrum such as HSQC or HMQC is presented here. When compared with the validation of a structure by a 1D 1H NMR spectrum alone,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d8063258fc4d9acaad1567e6a8d5e16
https://doi.org/10.1002/mrc.2034
https://doi.org/10.1002/mrc.2034
Autor:
Russell B. Williams, Rostislav Pol, Antony J. Williams, Arvin Moser, Mark O’Neil-Johnson, Patrick Wheeler
Publikováno v:
Organicbiomolecular chemistry. 13(39)
A strategy for the dereplication of a complete or a partial structure using (1)H NMR, (1)H-(13)C HSQC and (1)H-(1)H COSY spectral data, a molecular formula composition range and structural fragments against a massive database of about 22 million comp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1347de85641bdd762d5cab7629dbc0cd
https://pubmed.ncbi.nlm.nih.gov/26381222
https://pubmed.ncbi.nlm.nih.gov/26381222
Autor:
Elyashberg, Mikhail1 (AUTHOR) elyas@acdlabs.ru, Williams, Antony2 (AUTHOR) elyas@acdlabs.ru
Publikováno v:
Molecules. Nov2021, Vol. 26 Issue 21, p6623. 1p.
Publikováno v:
Computer-Based Structure Elucidation from Spectral Data; 2015, pi-xvi, 16p
Publikováno v:
Organic & Biomolecular Chemistry; 10/21/2015, Vol. 13 Issue 39, p9887-9893, 7p
Publikováno v:
Magnetic Resonance in Chemistry; Jun2012, Vol. 50 Issue 6, p429-435, 7p
Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out
