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List of works by Eduardo A. Castro

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

scientific article published in October 2004

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

scientific article published in September 2007

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

scientific article published on 22 June 2011

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

scientific article published on February 24, 2013

An improved QSPR modeling of hydrocarbon dipole moments

scientific article published on 18 November 2004

An integrated drug development approach applying topological descriptors

scientific article published on September 2012

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

scientific article published on 25 June 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

scientific article published in February 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

scientific article (publication date: 2 March 2007)

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

scientific article

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

scientific article published on 8 January 2007

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

scientific article

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

scientific article published on 27 January 2006

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

scientific article published on 11 May 2010

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

scientific article

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

scientific article published on 29 July 2008

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

scientific article published in June 2009

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

scientific article

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

scientific article published on 4 November 2005

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

scientific article published on 9 November 2010

Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds

scientific article published on November 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

scientific article published in April 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 ⬇️

scientific article published on December 14, 2011

QSAR Study for Carcinogenicity in a Large Set of Organic Compounds ⬇️

scientific article published on September 1, 2012

QSAR analysis for heterocyclic antifungals

scientific article published on 24 January 2007

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

scientific article

QSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives

scientific article published on 20 October 2009

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

scientific article published in September 2006

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

scientific article published on 22 November 2007

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

scientific article

QSAR prediction of inhibition of aldose reductase for flavonoids

scientific article published on 10 June 2008

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

scientific article published on July 2007

QSPR Study of Valproic Acid and Its Functionalized Derivatives.

scientific article published on 8 February 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

scientific article published in September 2010

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

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

scientific article published on 29 September 2007

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

scientific article published on January 2015

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

scientific article

The magnus expansion for the damped harmonic oscillator

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

scientific article published on 16 July 2009

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