Eduardo A Castro

发表

Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories

Andrew G Mercader, Pablo R Duchowicz, Francisco M Fernández, 2011, J. Chem. Inf. Model..

A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases.

Pablo R Duchowicz, Eduardo A Castro, E. Castro, 2011, Journal of molecular graphics & modelling.

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.

Francisco Torrens, Yovani Marrero-Ponce, Eduardo A Castro, 2005, Bioorganic & medicinal chemistry.

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

Pablo R Duchowicz, Eduardo A Castro, E. Castro, 2009, Journal of molecular graphics & modelling.

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

Pablo R Duchowicz, Eduardo A Castro, E. Castro, 2008, European journal of medicinal chemistry.

Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": application to QSPR/QSAR studies of organic compounds.

Francisco Torrens, Eduardo A Castro, Vicente Romero Zaldivar, 2004, Molecules.

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.

Francisco Torrens, Yovani Marrero-Ponce, Eduardo A Castro, 2005, Bioorganic & medicinal chemistry.

Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds.

Maykel Pérez González, Julio Caballero, Eduardo A Castro, 2005, Bioorganic & medicinal chemistry.

QSAR prediction of inhibition of aldose reductase for flavonoids.

Andrew G Mercader, Pablo R Duchowicz, Eduardo A Castro, 2008, Bioorganic & medicinal chemistry.

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

Francisco Torrens, Humberto González Díaz, Eduardo A Castro, 2004, Molecules.

An integrated drug development approach applying topological descriptors.

Alan Talevi, Pablo R Duchowicz, Eduardo A Castro, 2012, Current computer-aided drug design.

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

Alan Talevi, Pablo R Duchowicz, Eduardo A Castro, 2008, Bioorganic & medicinal chemistry.

QSAR study for carcinogenicity in a large set of organic compounds.

Pablo R Duchowicz, Eduardo A Castro, E. Castro, 2012, Current drug safety.

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

Pablo R Duchowicz, Eduardo A Castro, E. Castro, 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals.

Maykel Pérez González, Pablo R Duchowicz, Eduardo A Castro, 2004, Molecules.

A theoretical study of a family of new quinoxaline derivatives.

Pablo R Duchowicz, Eduardo A Castro, Reinaldo Pis Diez, 2006, Journal of molecular graphics & modelling.

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.

Francisco Torrens, Eduardo A Castro, Vicente Romero Zaldivar, 2004, Bioorganic & medicinal chemistry.

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

Francisco Torrens, Yovani Marrero-Ponce, Eduardo A Castro, 2005, Bioorganic & medicinal chemistry.