Improved Simple Protocols to Calculate Hydrocarbon Enthalpies of Formation From Ab Initio Total Energies. - Eduardo A. Castro (Comput. Chem., 1997)

Maximum Topological Distances Based Indices As Molecular Descriptors for QSPR: 2 - Application to Aromatic Hydrocarbons. - Eduardo A. Castro; Matías Tueros; Andrey A. Toropov (Comput. Chem., 2000)

Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants. - Pablo Duchowicz; Eduardo A. Castro; Andrey A. Toropov (Comput. Chem., 2002)

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. - Yovani Marrero-Ponce; Juan A. Castillo-Garit; Ervelio Olazabal; Hector S. Serrano; Alcidez Morales; Nilo Castañedo; Froylán Ibarra-Velarde; Alma Huesca-Guillen; Elisa Jorge; Arletys del Valle; Francisco Torrens; Eduardo A. Castro (J. Comput. Aided Mol. Des., 2004)

A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben. - Alan Talevi; Carolina L. Bellera; Eduardo A. Castro; Luis Bruno Blanch (J. Comput. Aided Mol. Des., 2007)

New Hybrid Genetic Based Support Vector Regression as QSAR Approach for Analyzing Flavonoids-GABA(A) Complexes. - Mohammad Goodarzi; Pablo Duchowicz; Chih-Hung Wu; Francisco M. Fernández; Eduardo A. Castro (J. Chem. Inf. Model., 2009)

Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories. - Andrew G. Mercader; Pablo Duchowicz; Francisco M. Fernández; Eduardo A. Castro (J. Chem. Inf. Model., 2010)

Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide. - Mariela I. Profeta; J. R. Romero; L. A. C. Leiva; Nelly L. Jorge; M. E. Gomez Vara; Eduardo A. Castro (Int. J. Chemoinformatics Chem. Eng., 2011)

Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories. - Andrew G. Mercader; Pablo Duchowicz; Francisco M. Fernández; Eduardo A. Castro (J. Chem. Inf. Model., 2011)

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; Nelly L. Jorge; Eduardo A. Castro (Int. J. Chemoinformatics Chem. Eng., 2012)

Some Recent Developments on the Synthesis, Chemical Reactivity, and Theoretical Studies of Tetroxanes. - Nelly L. Jorge; Alfonso Hernández-Laguna; Eduardo A. Castro (Int. J. Chemoinformatics Chem. Eng., 2013)