Eduardo A. Castro

发表

Theoretical Studies on the Structure and Spectroscopic Properties of 2, 4-D (2, 4-Diclorofenoxiacetic Acid)

María G. Andino, Mariela I. Profeta, Jorge M. Romero, 2012, Int. J. Chemoinformatics Chem. Eng..

On Applications of Macromolecular QSAR Theory

Eduardo A. Castro, Pablo R. Duchowicz, 2012 .

Maximum Topological Distances Based Indices As Molecular Descriptors for QSPR: 2 - Application to Aromatic Hydrocarbons

Andrey A. Toropov, Eduardo A. Castro, Matías Tueros, 2000, Comput. Chem..

Some Recent Developments on the Synthesis, Chemical Reactivity, and Theoretical Studies of Tetroxanes

Nelly L. Jorge, Eduardo A. Castro, Alfonso Hernández-Laguna, 2013, Int. J. Chemoinformatics Chem. Eng..

Virtual Screening: An Emergent, Key Methodology for Drug Development in an Emergent Continent. A Bridge Towards Patentability.

Alan Talevi, Eduardo A. Castro, Luis E. Bruno-Blanch, 2012 .

Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories

Eduardo A. Castro, Francisco M. Fernández, Andrew G. Mercader, 2010, J. Chem. Inf. Model..

Improved Simple Protocols to Calculate Hydrocarbon Enthalpies of Formation From Ab Initio Total Energies

Eduardo A. Castro, E. Castro, 1997, Comput. Chem..

ATOM-BASED LINEAR INDICES, A PROMISING APPROACH FOR VIRTUAL COMPUTATIONAL AND RATIONAL DESIGN OF NEW LEAD ANTHELMINTIC.

Francisco Torrens, Eduardo A. Castro, Yovani Marrero-Ponce, 2005 .

New Hybrid Genetic Based Support Vector Regression as QSAR Approach for Analyzing Flavonoids-GABA(A) Complexes

Eduardo A. Castro, Mohammad Goodarzi, Francisco M. Fernández, 2009, J. Chem. Inf. Model..

Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide

Mariela I. Profeta, Nelly L. Jorge, Eduardo A. Castro, 2011, Int. J. Chemoinformatics Chem. Eng..

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

Carolina L. Bellera, Alan Talevi, Eduardo A. Castro, 2007, J. Comput. Aided Mol. Des..

The magnus expansion for the damped harmonic oscillator

Eduardo A. Castro, Francisco M. Fernández, Julián Echave, 1987 .

Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants

Andrey A. Toropov, Eduardo A. Castro, Pablo Duchowicz, 2002, Comput. Chem..

Tomocomd-Cardd, a novel approach for computer-aided ‘ rational’ drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds

Eduardo A. Castro, Yovani Marrero-Ponce, Francisco Torrens, 2004, J. Comput. Aided Mol. Des..

Los descriptores ortogonales en la teoría QSAR-QSPR

Eduardo A. Castro, Pablo R. Duchowicz, Francisco M. Fernández, 2004 .

Advanced Methods and Applications in Chemoinformatics: Research Progress and New Applications

Eduardo A. Castro, E. Castro, A. Haghi, 2011 .

QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs

Andrey A. Toropov, Eduardo A. Castro, Andrés Mercader, 2000 .

Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients

Maykel Pérez González, Eduardo A. Castro, Pablo R. Duchowicz, 2007 .

Maximum topological distances based indices as molecular descriptors for QSPR

Andrey A. Toropov, Eduardo A. Castro, Andrew G. Mercader, 2000 .

QSAR study of the DPPH radical scavenging activity of di(hetero)arylamines derivatives of benzo[b]thiophenes, halophenols and caffeic acid analogues

Eduardo A. Castro, Pablo R. Duchowicz, Andrew G. Mercader, 2012 .

A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules

Maykel Pérez González, Eduardo A. Castro, Pablo R. Duchowicz, 2005 .

Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants

Andrey A. Toropov, Eduardo A. Castro, Andrés Mercader, 2001 .

QSAR on aryl-piperazine derivatives with activity on malaria

Eduardo A. Castro, Pablo R. Duchowicz, Emmanuel C. Ibezim, 2012 .

QSPR modeling of the enthalpy of formation based on Partial Order Ranking

Eduardo A. Castro, Pablo R. Duchowicz, Francisco M. Fernández, 2005 .

Predictive QSAR study of chalcone derivatives cytotoxicity activity against HT-29 human colon adenocarcinoma cell lines

Eduardo A. Castro, Andrew G. Mercader, E. Castro, 2014 .

Alternative statistical and theoretical analysis of fluorophilicity

Eduardo A. Castro, Pablo R. Duchowicz, Francisco M. Fernández, 2004 .

Computer-Aided Linear Modeling Employing Qsar for Drug Discovery

Eduardo A. Castro, Pablo R. Duchowicz, Nnenna Ekpereka Ibezim, 2009 .

QSPR Studies on Aqueous Solubilities of Drug-Like Compounds

Eduardo A. Castro, Pablo R. Duchowicz, E. Castro, 2009, International journal of molecular sciences.

Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential

Maykel Pérez González, Eduardo A. Castro, Pablo R. Duchowicz, 2006 .

Nanoscience and Advancing Computational Methods in Chemistry: Research Progress

Eduardo A. Castro, E. Castro, A. Haghi, 2012 .

New Molecular Descriptors based upon the Euler Equations for Chemical Graphs

Eduardo A. Castro, Pablo R. Duchowicz, E. Castro, 2006, Journal of Mathematical Chemistry.

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

Eduardo A. Castro, Pablo R. Duchowicz, Mario R. Estrada, 2011, International journal of molecular sciences.

Improved QSAR Analysis of the Toxicity of Aliphatic Carboxylic Acids

Eduardo A. Castro, F. P. Maguna, M. B. Ninez, 2002 .

Application of a novel ranking approach in QSPR-QSAR

Eduardo A. Castro, Pablo R. Duchowicz, Francisco M. Fernández, 2008 .

Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements

Andrey A. Toropov, Eduardo A. Castro, E. Castro, 2001 .

QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents

Eduardo A. Castro, Pablo R. Duchowicz, E. Castro, 2011 .

A Combined Virtual Screening 2D and 3D QSAR Methodology for the Selection of New Anticonvulsant Candidates from a Natural Product Library

Alan Talevi, Eduardo A. Castro, Luciana Gavernet, 2008 .

Nucleic acid quadratic indices of the "macromolecular graph's nucleotides adjacency matrix"

Francisco Torrens, Ronal Ramos de Armas, Eduardo A. Castro, 2004 .

Partial Order Ranking for the aqueous toxicity of aromatic mixtures

Eduardo A. Castro, Pablo R. Duchowicz, E. Castro, 2008 .