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List of works by Matheus P. Freitas

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

scientific article published on 25 January 2012

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

scientific article published on 17 November 2011

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

scientific article published on 25 November 2018

A theoretical view on the conformer stabilization of butane

scientific article published in November 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

scientific article published in January 2009

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

scientific article published on 23 October 2007

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

scientific article published on 19 January 2012

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

scientific article published on 16 March 2015

Conformational analysis and intramolecular interactions in aminofluorobenzoic acids

scientific article published on 7 February 2013

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

scientific article published on 11 June 2013

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

scientific article published in June 2005

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

scientific article

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

scientific article

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

scientific article published on 2 August 2012

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

scientific article published on 05 October 2020

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

scientific article published on 20 February 2019

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

scientific article published on 09 August 2012

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

scientific article published on 3 January 2018

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

scientific article published on 19 June 2014

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

scientific article published on 01 August 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

scientific article published on 03 January 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

scientific article published in February 2009

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

scientific article published on 13 July 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

scientific article published in April 2003

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

scientific article published on 11 January 2013

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

scientific article published on 6 July 2007

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

scientific article published on 5 May 2011

MIA-QSAR Modeling of the Anti-HIV-1 Protease Activities and Cytotoxicities of Ritonavir Analogs

scientific article published on 01 September 2012

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

scientific article published on 4 January 2010

MIA-QSAR evaluation of a series of sulfonylurea herbicides

scientific article

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

scientific article published in November 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

scientific article published on 13 November 2007

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

scientific article

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

scientific article published on 09 October 2008

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

scientific article published on 3 August 2009

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

scientific article published in September 2005

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

scientific article published on 26 March 2009

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

scientific article published on 31 May 2018

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

scientific article published on 7 August 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.

scientific article published on 31 May 2010

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

scientific article published on 23 March 2005

Simultaneous gauche and Anomeric Effects in α-Substituted Sulfoxides ⬇️

scientific article published on August 16, 2012

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

scientific article published on 2 February 2012

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

scientific article published on 15 December 2014

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

scientific article published on 30 January 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

scientific article published on 13 June 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 ⬇️

scientific article published on March 21, 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

scientific article published on 13 July 2017

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

scientific article published on 2 September 2013

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

scientific article published on September 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

scientific article published in June 2003

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

scientific article published on 31 May 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

scientific article

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

scientific article published on 4 July 2013

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