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A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide

Natural product reports, 2022-01, Vol.39 (1), p.58-76

2022

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Study of heavy atom influence on poly-halogenated compounds using DP4/MM-DP4+/DP4+: insights and trends

Organic & biomolecular chemistry, 2024-03, Vol.22 (12), p.2435-2442

2024

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DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation

Journal of natural products (Washington, D.C.), 2023-10, Vol.86 (10), p.2360-2367

2023

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Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen‐Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory

Chemistry : a European journal, 2023-06, Vol.29 (35), p.e202300420-n/a

2023

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Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts

Journal of organic chemistry, 2015-12, Vol.80 (24), p.12526-12534

2015

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Celestial mechanics: new discoveries and challenges for space exploration

The European physical journal. ST, Special topics, 2023-12, Vol.232 (18-19), p.2881-2887

2023

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The Extended H∞ Particle Filter for Attitude Estimation Applied to Remote Sensing Satellite CBERS-4

Remote sensing (Basel, Switzerland), 2023-08, Vol.15 (16), p.4052

2023

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Sensitivity Analysis of DP4+ with the Probability Distribution Terms: Development of a Universal and Customizable Method

Journal of organic chemistry, 2021-06, Vol.86 (12), p.8544-8548

2021

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Attitude estimation for remote sensing satellite CBERS-4 using unscented Gaussian sum filter

The European physical journal. ST, Special topics, 2023-12, Vol.232 (18-19), p.2923-2935

2023

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Performance analysis of derivative-free estimation methods from the perspective of attitude estimation influenced by real data

The European physical journal. ST, Special topics, 2023-12, Vol.232 (18-19), p.2937-2948

2023

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Recent Applications of Levoglucosenone as Chiral Synthon

Current organic synthesis, 2012-09, Vol.9 (4), p.439-459

2012

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The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation

Organic letters, 2020-05, Vol.22 (9), p.3561-3565

2020

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Redefining the Impact of Boltzmann Analysis in the Stereochemical Assignment of Polar and Flexible Molecules by NMR Calculations

Organic letters, 2020-01, Vol.22 (1), p.52-56

2020

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NMR Calculations with Quantum Methods: Development of New Tools for Structural Elucidation and Beyond

Accounts of chemical research, 2020-09, Vol.53 (9), p.1922-1932

2020

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GIAO C–H COSY Simulations Merged with Artificial Neural Networks Pattern Recognition Analysis. Pushing the Structural Validation a Step Forward

Journal of organic chemistry, 2015-10, Vol.80 (19), p.9371-9378

2015

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Bioactive secondary metabolites from Phomopsis sp., an endophytic fungus from Senna spectabilis

Molecules (Basel, Switzerland), 2014-05, Vol.19 (5), p.6597-6608

2014

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Efficient production of the flavoring agent zingerone and of both (R)- and (S)-zingerols via green fungal biocatalysis. Comparative antifungal activities between enantiomers

International journal of molecular sciences, 2014-12, Vol.15 (12), p.22042-22058

2014

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Synthesis of new chiral 1,3-aminoalcohols derived from levoglucosenone and their application in asymmetric alkylations

Tetrahedron letters, 2015-06, Vol.56 (24), p.3762-3765

2015

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Therapeutic potential of LINS01 histamine H 3 receptor antagonists as antineoplastic agents for triple negative breast cancer

Biomedicine & pharmacotherapy, 2024-05, Vol.174, p.116527

2024

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Performance evaluation of a central difference Kalman filter applied to attitude determination

The European physical journal. ST, Special topics, 2023-12, Vol.232 (18-19), p.2949-2959

2023

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ML‑J‑DP4: An Integrated Quantum Mechanics-Machine Learning Approach for Ultrafast NMR Structural Elucidation

Organic letters, 2022-10, Vol.24 (41), p.7487-7491

2022

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Determination of the Relative Configuration of Terminal and Spiroepoxides by Computational Methods. Advantages of the Inclusion of Unscaled Data

Journal of organic chemistry, 2017-02, Vol.82 (4), p.1873-1879

2017

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Multidimensional assessment of women after severe maternal morbidity: the COMMAG cohort study

BMJ open, 2020-12, Vol.10 (12), p.e041138-e041138

2020

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New chiral 1,2-aminoalcohols derived from biomass and their application in diethyl zinc additions

Tetrahedron letters, 2014-10, Vol.55 (42), p.5832-5835

2014

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Unscented Kalman Filter for Determination of Spacecraft Attitude Using Different Attitude Parameterizations and Real Data

Journal of aerospace technology and management, 2016-03, Vol.8 (1), p.82-90

2016

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A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide

Study of heavy atom influence on poly-halogenated compounds using DP4/MM-DP4+/DP4+: insights and trends

DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation

Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen‐Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory

Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts

Celestial mechanics: new discoveries and challenges for space exploration

The Extended H∞ Particle Filter for Attitude Estimation Applied to Remote Sensing Satellite CBERS-4

Sensitivity Analysis of DP4+ with the Probability Distribution Terms: Development of a Universal and Customizable Method

Attitude estimation for remote sensing satellite CBERS-4 using unscented Gaussian sum filter

Performance analysis of derivative-free estimation methods from the perspective of attitude estimation influenced by real data

Recent Applications of Levoglucosenone as Chiral Synthon

The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation

Redefining the Impact of Boltzmann Analysis in the Stereochemical Assignment of Polar and Flexible Molecules by NMR Calculations

NMR Calculations with Quantum Methods: Development of New Tools for Structural Elucidation and Beyond

GIAO C–H COSY Simulations Merged with Artificial Neural Networks Pattern Recognition Analysis. Pushing the Structural Validation a Step Forward

Bioactive secondary metabolites from Phomopsis sp., an endophytic fungus from Senna spectabilis

Efficient production of the flavoring agent zingerone and of both (R)- and (S)-zingerols via green fungal biocatalysis. Comparative antifungal activities between enantiomers

Synthesis of new chiral 1,3-aminoalcohols derived from levoglucosenone and their application in asymmetric alkylations

Therapeutic potential of LINS01 histamine H 3 receptor antagonists as antineoplastic agents for triple negative breast cancer

Performance evaluation of a central difference Kalman filter applied to attitude determination

ML‑J‑DP4: An Integrated Quantum Mechanics-Machine Learning Approach for Ultrafast NMR Structural Elucidation

Determination of the Relative Configuration of Terminal and Spiroepoxides by Computational Methods. Advantages of the Inclusion of Unscaled Data

Multidimensional assessment of women after severe maternal morbidity: the COMMAG cohort study

New chiral 1,2-aminoalcohols derived from biomass and their application in diethyl zinc additions

Unscented Kalman Filter for Determination of Spacecraft Attitude Using Different Attitude Parameterizations and Real Data

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