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Eduardo A. Castro

Researcher at National Scientific and Technical Research Council

Publications -  485
Citations -  5533

Eduardo A. Castro is an academic researcher from National Scientific and Technical Research Council. The author has contributed to research in topics: Quantitative structure–activity relationship & Eigenvalues and eigenvectors. The author has an hindex of 35, co-authored 484 publications receiving 5313 citations. Previous affiliations of Eduardo A. Castro include National University of La Plata.

Papers
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Journal ArticleDOI

Topological and NBO analysis of hydrogen bonding interactions involving C-H...O bonds

Gladis L. Sosa, +3 more
- 01 Aug 1997 - 
TL;DR: In this article, a topological analysis of two model systems in which different CH O hydrogen bonds exist is performed in order to characterize them, and it is found that it is necessary to analyze the topological properties of the acceptor atom involved in the hydrogen bond since several parameters are qualitatively different in both complexes.
Journal ArticleDOI

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

Pablo R. Duchowicz, +3 more
- 05 Sep 2005 - 
TL;DR: In this article, a new algorithm for the search of an optimal subset of molecular descriptors from a large set of them was proposed, based on correlation weighting of atomic orbitals with Extended Connectivity of Zero-and First-Order Graphs of Atomic Orbitals.
Book

Large Order Perturbation Theory and Summation Methods in Quantum Mechanics

G. A. Arteca, +2 more
TL;DR: The problems usually found in Theoretical Chemistry and Physical Chemistry involve the use of quantum mechanical models which, as a general rule, do not have exact solutions as discussed by the authors, and a formidable effort has been devoted to develop approximate methods to solve the Schrodinger equation from the very birth of the Quantum Mecha nics.
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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.

Yovani Marrero-Ponce, +10 more
- 15 Feb 2005 - 
TL;DR: A novel atom-level chemical descriptor has been applied to estimate the anthelmintic activity and results suggest that the proposed method will be a good tool for studying the biological properties of drug candidates during the early state of the drug-development process.
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Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds.

Michael Fernández, +4 more
- 02 May 2005 - 
TL;DR: Inhibitory activity against aldose reductase enzyme of flavonoid derivatives were modelled using 11 kinds of molecular descriptors from Dragon software and model with four Galvez Charge Indices showed to contain important information on the relationship between the inhibitor structures and its activity.