Expanding DP4: application to drug compounds and automation-Reference-Cited by-同舟云学术

Expanding DP4: application to drug compounds and automation

Published:2016 Issue:16 Volume:14 Page:3943-3949
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Ermanis Kristaps¹²³⁴⁵,Parkes Kevin E. B.⁶⁷⁸,Agback Tatiana⁶⁷⁸,Goodman Jonathan M.¹²³⁴⁵

Affiliation:

1. Centre for Molecular Science Informatics

2. Department of Chemistry

3. University of Cambridge

4. Cambridge CB2 1EW

5. UK

6. Medivir AB

7. SE-141 22 Huddinge

8. Sweden

Abstract

The DP4 parameter, which provides a confidence level for NMR assignment, has been widely used to help assign the structures of many stereochemically-rich molecules.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/OB/C6OB00015K

Reference69 articles.

1. Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

2. Walking in the woods with quantum chemistry – applications of quantum chemical calculations in natural products research

3. Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation

4. Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability

5. Stereochemical Determination of Five-Membered Cyclic Ether Acetogenins Using a Spin-Spin Coupling Constant Approach and DFT Calculations

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