(Q40859429)

24 September 2017

title

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions (English)

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24 September 2017

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Andrés Bernal

2

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Julien Wist

object named as

Julien Wist

series ordinal

4

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Luc Patiny

object named as

Luc Patiny

series ordinal

3

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author name string

Andrés M Castillo

series ordinal

1

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24 September 2017

publication date

6 June 2015

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Magnetic Resonance in Chemistry

24 September 2017

published in

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24 September 2017

volume

53

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24 September 2017

issue

8

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24 September 2017

page(s)

603-611

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

24 September 2017

cites work

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Automated structure verification based on a combination of 1D (1)H NMR and 2D (1)H - (13)C HSQC spectra

21 January 2018

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Automatic assignment of 1H-NMR spectra of small molecules.

21 January 2018

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Towards the automatic analysis of NMR spectra: part 7. Assignment of 1H by employing both 1H and 1H/13C correlation spectra.

21 January 2018

1 reference

Mars -- robust automatic backbone assignment of proteins

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A generalized approach to automated NMR peak list editing: application to reduced dimensionality triple resonance spectra.

21 January 2018

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Automated amino acid side-chain NMR assignment of proteins using (13)C- and (15)N-resolved 3D [ (1)H, (1)H]-NOESY.

21 January 2018

1 reference

An automated framework for NMR resonance assignment through simultaneous slice picking and spin system forming.

21 January 2018

1 reference

Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.

21 January 2018

1 reference

PICKY: a novel SVD-based NMR spectra peak picking method.

21 January 2018

1 reference

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering

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Automatic peak selection by a Benjamini-Hochberg-based algorithm

21 January 2018

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Bayesian peak picking for NMR spectra.

21 January 2018

1 reference

MUNIN: a new approach to multi-dimensional NMR spectra interpretation.

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1 reference

Peak picking NMR spectral data using non-negative matrix factorization.

21 January 2018

1 reference

Automatic program for peak detection and deconvolution of multi-overlapped chromatographic signals part II: peak model and deconvolution algorithms.

21 January 2018

1 reference

An Automatic Method of Solving Discrete Programming Problems

21 January 2018

1 reference

Identification of symmetries in molecules and complexes.

21 January 2018

1 reference

Prediction of 1H NMR coupling constants with associative neural networks trained for chemical shifts.

21 January 2018

1 reference

Fast determination of 13C NMR chemical shifts using artificial neural networks

21 January 2018

1 reference

Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods

21 January 2018

1 reference

Prediction of carbon-13 NMR chemical shift of alkanes with rooted path vector.

21 January 2018

1 reference

A new method for the comparison of 1H NMR predictors based on tree-similarity of spectra

21 January 2018

1 reference

Computer-aided spectral assignment in nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/MRC.4272

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24 September 2017

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