(Q56398075)

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Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches

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Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches (English)

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Antony Williams

4

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Mikhail E Elyashberg

series ordinal

1

object named as

Mikhail Elyashberg

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author name string

Kirill Blinov

series ordinal

2

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Sergey Molodtsov

series ordinal

3

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publication date

January 2012

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published in

Magnetic Resonance in Chemistry

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volume

50

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issue

1

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page(s)

22-27

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cites work

Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems

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Are deterministic expert systems for computer-assisted structure elucidation obsolete?

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Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

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21 January 2018

Development of a fast and accurate method of 13C NMR chemical shift prediction

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Toward more reliable 13C and 1H chemical shift prediction: a systematic comparison of neural-network and least-squares regression based approaches.

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Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the data

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21 January 2018

Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments

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21 January 2018

Fuzzy structure generation: a new efficient tool for Computer-Aided Structure Elucidation (CASE).

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The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy

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Indole alkaloids from Cephalanceropsis gracilis

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Synthetic studies of cephalandole alkaloids and the revised structure of cephalandole A.

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Choosing the best pulse sequences, acquisition parameters, postacquisition processing strategies, and probes for natural product structure elucidation by NMR spectroscopy.

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Organic structure determination using atomic-resolution scanning probe microscopy

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Residual dipolar couplings as a powerful tool for constitutional analysis: the unexpected formation of tricyclic compounds

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COCI

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10 July 2022

Enhanced automated structure elucidation by inclusion of two-bond specific data

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Computer-assisted constitutional assignment of large molecules: COCON analysis of ascomycin

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NMR studies of phakellins and isophakellins

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Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen

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10 July 2022

Identifiers

DOI

10.1002/MRC.2849

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PubMed publication ID

22259196

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ResearchGate publication ID

221760872

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(Q56398075)

Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches

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