Lista de obras - Matheus P. Freitas - Dominio Público Uruguay

1,2-Difluoroethane: the angular dependance on 1J(CF) coupling constants is independent of hyperconjugation

artículo científico publicado en 2012

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

artículo científico publicado en 2011

3D perspective into MIA-QSAR: A case for anti-HCV agents

artículo científico publicado en 2018

A theoretical view on the conformer stabilization of butane

artículo científico publicado en 2009

Alkyl Group Effect on the Conformational Isomerism oftrans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

article

Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives

artículo científico publicado en 2009

Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

artículo científico publicado en 2007

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols.

artículo científico publicado en 2012

Computational modelling of the antischistosomal activity for neolignan derivatives based on the MIA-SAR approach

artículo científico publicado en 2015

Conformational analysis and intramolecular interactions in aminofluorobenzoic acids

artículo científico publicado en 2013

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

artículo científico publicado en 2013

Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation

artículo científico publicado en 2005

Conformational analysis of 1-chloro- and 1-bromo-2-propanol

artículo científico publicado en 2013

Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

artículo científico publicado en 2014

Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols

artículo científico publicado en 2012

Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction

artículo científico publicado en 2020

Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorines

artículo científico publicado en 2019

Construction and assessment of reaction models of Class I EPSP synthase. Part II: investigation of the EPSP ketal

artículo científico publicado en 2012

Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity

artículo científico publicado en 2018

Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?

artículo científico publicado en 2014

Endocyclic Oxygen in 3-Fluorodihydro-2H-pyran-4(3H)-one That Does Not Induce the Gauche Effect

artículo científico publicado en 2014

F···HO intramolecular hydrogen bond as the main transmission mechanism for 1hJF,H(O) coupling constant in 2′-fluoroflavonol

article

Gauche Preference of β-Fluoroalkyl Ammonium Salts

artículo científico publicado en 2014

Hydrophobic Noncovalent Interactions of Inosine-Phenylalanine: A Theoretical Model for Investigating the Molecular Recognition of Nucleobases

article

Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR stu

artículo científico publicado en 2009

In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil.

artículo científico publicado en 2008

Influence of stereoelectronic effects on the 1 JC─F spin-spin coupling constant in fluorinated heterocyclic compounds

scientific article published on 03 March 2019

Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone

artículo científico publicado en 2003

Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors

artículo científico publicado en 2013

Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?

artículo científico publicado en 2007

Linear and nonlinear quantitative structure-activity relationship modeling of the HIV-1 reverse transcriptase inhibiting activities of thiocarbamates

artículo científico publicado en 2011

MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives

artículo científico publicado en 2010

MIA-QSAR evaluation of a series of sulfonylurea herbicides

artículo científico publicado en 2008

Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N'-(aryl)-benzamidines.

artículo científico publicado en 2003

Multivariate analysis of nystatin and metronidazole in a semi-solid matrix by means of diffuse reflectance NIR spectroscopy and PLS regression

scientific article published on 15 August 2005

Novel anti-HIV cyclotriazadisulfonamide derivatives as modeled by ligand- and receptor-based approaches

artículo científico publicado en 2007

On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights

artículo científico publicado en 2009

Predicting boiling points of aliphatic alcohols through multivariate image analysis applied to quantitative structure-property relationships

artículo científico publicado en 2008

Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR.

artículo científico publicado en 2009

Prediction of drug dissolution profiles from tablets using NIR diffuse reflectance spectroscopy: a rapid and nondestructive method

artículo científico publicado en 2005

Principal component analysis-adaptive neuro-fuzzy inference systems (ANFISs) for the simultaneous spectrophotometric determination of three metals in water samples

artículo científico publicado en 2009

Probing long-range spin-spin coupling constants in 2-halo-substituted cyclohexanones and cyclohexanethiones: The role of solvent and stereoelectronic effects

artículo científico publicado en 2018

QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamides.

artículo científico publicado en 2010

QSAR studies of bioactivities of 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 receptor ligands using physicochemical descriptors and MLR and ANN-modeling.

artículo científico publicado en 2010

Simple and highly predictive QSAR method: application to a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides

artículo científico publicado en 2005

Simultaneous gauche and anomeric effects in α-substituted sulfoxides

artículo científico publicado en 2012

Stereoelectronic interactions and the one-bond C-F coupling constant in sevoflurane

artículo científico publicado en 2012

Structural determination of Cu and Fe-Citrate complexes: theoretical investigation and analysis by ESI-MS.

artículo científico publicado en 2014

Structural determination of Zn and Cd-DTPA complexes: MS, infrared, (13)C NMR and theoretical investigation

artículo científico publicado en 2007

The MIA-QSAR Method for the Prediction of Bioactivities of Possible Acetylcholinesterase Inhibitors

scientific article published on 06 June 2012

The Reverse Fluorine Perlin-like Effect and Related Stereoelectronic Interactions

artículo científico publicado en 2014

The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine

scientific article published on 04 April 2019

The anomeric effect on the basis of natural bond orbital analysis

artículo científico publicado en 2013

The mutual effect of a carbonyl polar bond and an endocyclic oxygen on the 1 JC-F coupling constant of fluorinated six-membered rings

artículo científico publicado en 2017

The preferred all-gauche conformations in 3-fluoro-1,2-propanediol

artículo científico publicado en 2013

The search for new COX-2 inhibitors: a review of 2002 - 2008 patents

artículo científico publicado en 2009

The seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution

scientific article published on 01 September 2014

The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature

artículo científico publicado en 2003

Theoretical and infrared spectroscopy study of the conformational preferences for some 3-monosubstituted-2-methylpropenes

artículo científico publicado en 2011

Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes

scientific article published on 23 June 2011

Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solution

artículo científico publicado en 2014

aug-MIA-QSAR modeling of antimicrobial activities and design of multi-target anilide derivatives.

artículo científico publicado en 2013

Lista de obras de Matheus P. Freitas

1,2-Difluoroethane: the angular dependance on 1J(CF) coupling constants is independent of hyperconjugation

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

3D perspective into MIA-QSAR: A case for anti-HCV agents

A theoretical view on the conformer stabilization of butane

Alkyl Group Effect on the Conformational Isomerism oftrans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives

Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols.

Computational modelling of the antischistosomal activity for neolignan derivatives based on the MIA-SAR approach

Conformational analysis and intramolecular interactions in aminofluorobenzoic acids

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation

Conformational analysis of 1-chloro- and 1-bromo-2-propanol

Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols

Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction

Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorines

Construction and assessment of reaction models of Class I EPSP synthase. Part II: investigation of the EPSP ketal

Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity

Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?

Endocyclic Oxygen in 3-Fluorodihydro-2H-pyran-4(3H)-one That Does Not Induce the Gauche Effect

F···HO intramolecular hydrogen bond as the main transmission mechanism for 1hJF,H(O) coupling constant in 2′-fluoroflavonol

Gauche Preference of β-Fluoroalkyl Ammonium Salts

Hydrophobic Noncovalent Interactions of Inosine-Phenylalanine: A Theoretical Model for Investigating the Molecular Recognition of Nucleobases

Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR stu

In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil.

Influence of stereoelectronic effects on the 1 JC─F spin-spin coupling constant in fluorinated heterocyclic compounds

Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone

Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors

Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?

Linear and nonlinear quantitative structure-activity relationship modeling of the HIV-1 reverse transcriptase inhibiting activities of thiocarbamates

MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives

MIA-QSAR evaluation of a series of sulfonylurea herbicides

Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N'-(aryl)-benzamidines.

Multivariate analysis of nystatin and metronidazole in a semi-solid matrix by means of diffuse reflectance NIR spectroscopy and PLS regression

Novel anti-HIV cyclotriazadisulfonamide derivatives as modeled by ligand- and receptor-based approaches

On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights

Predicting boiling points of aliphatic alcohols through multivariate image analysis applied to quantitative structure-property relationships

Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR.

Prediction of drug dissolution profiles from tablets using NIR diffuse reflectance spectroscopy: a rapid and nondestructive method

Principal component analysis-adaptive neuro-fuzzy inference systems (ANFISs) for the simultaneous spectrophotometric determination of three metals in water samples

Probing long-range spin-spin coupling constants in 2-halo-substituted cyclohexanones and cyclohexanethiones: The role of solvent and stereoelectronic effects

QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamides.

QSAR studies of bioactivities of 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 receptor ligands using physicochemical descriptors and MLR and ANN-modeling.

Simple and highly predictive QSAR method: application to a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides

Simultaneous gauche and anomeric effects in α-substituted sulfoxides

Stereoelectronic interactions and the one-bond C-F coupling constant in sevoflurane

Structural determination of Cu and Fe-Citrate complexes: theoretical investigation and analysis by ESI-MS.

Structural determination of Zn and Cd-DTPA complexes: MS, infrared, (13)C NMR and theoretical investigation

The MIA-QSAR Method for the Prediction of Bioactivities of Possible Acetylcholinesterase Inhibitors

The Reverse Fluorine Perlin-like Effect and Related Stereoelectronic Interactions

The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine

The anomeric effect on the basis of natural bond orbital analysis

The mutual effect of a carbonyl polar bond and an endocyclic oxygen on the 1 JC-F coupling constant of fluorinated six-membered rings

The preferred all-gauche conformations in 3-fluoro-1,2-propanediol

The search for new COX-2 inhibitors: a review of 2002 - 2008 patents

The seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution

The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature

Theoretical and infrared spectroscopy study of the conformational preferences for some 3-monosubstituted-2-methylpropenes

Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes

Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solution

aug-MIA-QSAR modeling of antimicrobial activities and design of multi-target anilide derivatives.