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A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

article

A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

scientific article published on 26 October 2012

A systematic approach for the generation and verification of structural hypotheses

artículo científico publicado en 2009

Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data

artículo científico publicado en 2002

Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?

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

artículo científico publicado en 2006

Automated structure elucidation - the benefits of a symbiotic relationship between the spectroscopist and the expert system

Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate

artículo científico publicado en 2004

Blind trials of computer-assisted structure elucidation software

artículo científico publicado en 2012

ChemInform Abstract: Computer-Assisted Methods for Molecular Structure Elucidation: Realizing a Spectroscopist′s Dream

ChemInform Abstract: Structural Revisions of Natural Products by Computer-Assisted Structure Elucidation (CASE) Systems

Computer Assisted Structure Elucidation (CASE): Current and Future Perspectives

artículo científico publicado en 2020

Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

artículo científico publicado en 2009

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

Computer–Based Structure Elucidation from Spectral Data

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

article

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

Empirical and DFT GIAO quantum-mechanical methods of (13)C chemical shifts prediction: competitors or collaborators?

artículo científico publicado en 2010

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

artículo científico publicado en 2010

Enhancing computer-assisted structure elucidation with DFT analysis of J-couplings

artículo científico publicado en 2020

Fundamentals of Structure Elucidator System

Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE)

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

artículo científico publicado en 2007

Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator

NMReDATA, a standard to report the NMR assignment and parameters of organic compounds.

artículo científico publicado en 2018

Problems Solved Using Fuzzy Structure Generation

Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer-assisted structure elucidation and 2D NMR ⬇️

article published in 2003

Simple Examples of Structure Elucidation

Strategies of Structure Elucidation

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

artículo científico publicado en 2010

Structure Elucidation Using Strict Structure Generation

Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data

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

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

artículo científico publicado en 2004

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

artículo científico publicado en 2004

Structure revision of asperjinone using computer-assisted structure elucidation methods

artículo científico publicado en 2013

Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision

artículo científico publicado en 2016

The application of empirical methods of (13)C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

artículo científico publicado en 2009

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

artículo científico publicado en 2007

Towards unbiased and more versatile NMR-based structure elucidation: A powerful combination of CASE algorithms and DFT calculations

artículo científico publicado en 2017

What Is the Structure of the Antitubercular Natural Product Eucapsitrione?

artículo científico publicado en 2017

Lista de obras de

A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

A systematic approach for the generation and verification of structural hypotheses

Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data

Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?

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

Automated structure elucidation - the benefits of a symbiotic relationship between the spectroscopist and the expert system

Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate

Blind trials of computer-assisted structure elucidation software

ChemInform Abstract: Computer-Assisted Methods for Molecular Structure Elucidation: Realizing a Spectroscopist′s Dream

ChemInform Abstract: Structural Revisions of Natural Products by Computer-Assisted Structure Elucidation (CASE) Systems

Computer Assisted Structure Elucidation (CASE): Current and Future Perspectives

Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

Computer–Based Structure Elucidation from Spectral Data

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

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

Empirical and DFT GIAO quantum-mechanical methods of (13)C chemical shifts prediction: competitors or collaborators?

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

Enhancing computer-assisted structure elucidation with DFT analysis of J-couplings

Fundamentals of Structure Elucidator System

Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE)

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

Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator

NMReDATA, a standard to report the NMR assignment and parameters of organic compounds.

Problems Solved Using Fuzzy Structure Generation

Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer-assisted structure elucidation and 2D NMR ⬇️

Simple Examples of Structure Elucidation

Strategies of Structure Elucidation

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

Structure Elucidation Using Strict Structure Generation

Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data

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

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

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

Structure revision of asperjinone using computer-assisted structure elucidation methods

Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision

The application of empirical methods of (13)C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

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

Towards unbiased and more versatile NMR-based structure elucidation: A powerful combination of CASE algorithms and DFT calculations

What Is the Structure of the Antitubercular Natural Product Eucapsitrione?