Lista de obras - Eduardo A. Castro - Dominio Público Uruguay

3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

article published in 2008

3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities

artículo científico publicado en 2004

A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben

artículo científico publicado en 2007

Advances in the replacement and enhanced replacement method in QSAR and QSPR theories

artículo científico publicado en 2011

Amino acid profiles and quantitative structure-property relationship models as markers for Merlot and Torrontés wines

artículo científico publicado en 2013

An improved QSPR modeling of hydrocarbon dipole moments

artículo científico publicado en 2004

An integrated drug development approach applying topological descriptors

artículo científico

Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides

artículo científico publicado en 2010

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic

artículo científico publicado en 2005

Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity

article

Calculation of 〈p〉 and 〈p−1〉 from variational atomic electron densities

article published in 1990

Chemical physics: the standing of a mature discipline

artículo científico publicado en 2007

Conformation-Independent QSPR Approach for the Soil Sorption Coefficient of Heterogeneous Compounds

artículo científico publicado en 2016

Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis

artículo científico publicado en 2007

Effects of the solvent and temperature on the 2:1 catechol-Al(III)-complex

artículo científico publicado en 2006

Experimental preparation and UV/IR spectroscopic characterization of 1,3-dibutanal-1,2,4,5-tetroxane

artículo científico publicado en 2006

Exploring 3-arylquinoxaline-2-carbonitrile 1,4-di-N-oxides activities against neglected diseases with QSAR.

artículo científico publicado en 2010

Is there a relationship between sweet taste and seizures? Anticonvulsant and proconvulsant effects of non-nutritive sweeteners

artículo científico publicado en 2015

New QSPR study for the prediction of aqueous solubility of drug-like compounds

artículo científico publicado en 2008

New hybrid genetic based Support Vector Regression as QSAR approach for analyzing flavonoids-GABA(A) complexes.

artículo científico publicado en 2009

New similarity-based algorithm and its application to classification of anticonvulsant compounds

artículo científico publicado en 2007

Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents

artículo científico publicado en 2005

Prediction of drug intestinal absorption by new linear and non-linear QSPR.

artículo científico publicado en 2010

Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds

artículo científico publicado en 2010

Protein linear indices of the 'macromolecular pseudograph alpha-carbon atom adjacency matrix' in bioinformatics. Part 1: prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor

artículo científico publicado en 2005

Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability.

scientific article published on 31 December 2004

QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents ⬇️

artículo científico publicado el 14 de diciembre de 2011

QSAR analysis for heterocyclic antifungals

artículo científico publicado en 2007

QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents

artículo científico publicado en 2009

QSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives

artículo científico publicado en 2009

QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase

artículo científico publicado en 2006

QSAR modeling of the interaction of flavonoids with GABA(A) receptor

artículo científico publicado en 2007

QSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1.

artículo científico publicado en 2014

QSAR prediction of inhibition of aldose reductase for flavonoids

artículo científico publicado en 2008

QSAR studies for the pharmacological inhibition of glycogen synthase kinase-3.

artículo científico publicado en 2007

QSAR study for carcinogenicity in a large set of organic compounds

artículo científico publicado en 2012

QSPR Study of Valproic Acid and Its Functionalized Derivatives.

artículo científico publicado en 2012

QSPR studies on aqueous solubilities of drug-like compounds

scientific article published on 03 June 2009

QSPR/QSAR Analyses by Means of the CORAL Software

Replacement method and enhanced replacement method versus the genetic algorithm approach for the selection of molecular descriptors in QSPR/QSAR theories

artículo científico publicado en 2010

Some applications of Scheidemann-Dreizler's solution of the TFDW equation

Spectroscopic study of the dispiro-1,2,4,5-tetroxane (cyclohexanone diperoxide).

artículo científico publicado en 2007

Systematic Comparison of the Performance of Different 2D and 3D Ligand-Based Virtual Screening Methodologies to Discover Anticonvulsant Drugs

artículo científico publicado en 2015

The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials - two examples of application

artículo científico publicado en 2015

The magnus expansion for the damped harmonic oscillator

Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid.

artículo científico publicado en 2009

Lista de obras de Eduardo A. Castro

3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities

A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben

Advances in the replacement and enhanced replacement method in QSAR and QSPR theories

Amino acid profiles and quantitative structure-property relationship models as markers for Merlot and Torrontés wines

An improved QSPR modeling of hydrocarbon dipole moments

An integrated drug development approach applying topological descriptors

Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic

Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity

Calculation of 〈p〉 and 〈p−1〉 from variational atomic electron densities

Chemical physics: the standing of a mature discipline

Conformation-Independent QSPR Approach for the Soil Sorption Coefficient of Heterogeneous Compounds

Discovery of anticonvulsant activity of abietic acid through application of linear discriminant analysis

Effects of the solvent and temperature on the 2:1 catechol-Al(III)-complex

Experimental preparation and UV/IR spectroscopic characterization of 1,3-dibutanal-1,2,4,5-tetroxane

Exploring 3-arylquinoxaline-2-carbonitrile 1,4-di-N-oxides activities against neglected diseases with QSAR.

Is there a relationship between sweet taste and seizures? Anticonvulsant and proconvulsant effects of non-nutritive sweeteners

New QSPR study for the prediction of aqueous solubility of drug-like compounds

New hybrid genetic based Support Vector Regression as QSAR approach for analyzing flavonoids-GABA(A) complexes.

New similarity-based algorithm and its application to classification of anticonvulsant compounds

Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents

Prediction of drug intestinal absorption by new linear and non-linear QSPR.

Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds

Protein linear indices of the 'macromolecular pseudograph alpha-carbon atom adjacency matrix' in bioinformatics. Part 1: prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor

Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability.

QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents ⬇️

QSAR analysis for heterocyclic antifungals

QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents

QSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives

QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase

QSAR modeling of the interaction of flavonoids with GABA(A) receptor

QSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1.

QSAR prediction of inhibition of aldose reductase for flavonoids

QSAR studies for the pharmacological inhibition of glycogen synthase kinase-3.

QSAR study for carcinogenicity in a large set of organic compounds

QSPR Study of Valproic Acid and Its Functionalized Derivatives.

QSPR studies on aqueous solubilities of drug-like compounds

QSPR/QSAR Analyses by Means of the CORAL Software

Replacement method and enhanced replacement method versus the genetic algorithm approach for the selection of molecular descriptors in QSPR/QSAR theories

Some applications of Scheidemann-Dreizler's solution of the TFDW equation

Spectroscopic study of the dispiro-1,2,4,5-tetroxane (cyclohexanone diperoxide).

Systematic Comparison of the Performance of Different 2D and 3D Ligand-Based Virtual Screening Methodologies to Discover Anticonvulsant Drugs

The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials - two examples of application

The magnus expansion for the damped harmonic oscillator

Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid.