| Classifier Ensemble Based on Feature Selection and Diversity Measures for Predicting the Affinity of A Adenosine Receptor Antagonists. | 0 | 0.34 | 2013 |
| Drug-drug interaction through molecular structure similarity analysis. | 29 | 1.15 | 2012 |
| Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach. | 0 | 0.34 | 2010 |
| Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials. | 2 | 0.40 | 2009 |
| QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks. | 4 | 0.81 | 2008 |
| Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems. | 7 | 0.63 | 2007 |
| 2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function. | 8 | 0.59 | 2007 |
| Erratum to “Folding degrees of azurins and pseudoazurins. Implications for structure and function” [Comput. Biol. Chem. 29 (2005) 345–353] | 0 | 0.34 | 2007 |
| Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices. | 7 | 0.64 | 2007 |
| An Integrated in Silico Analysis of Drug-Binding to Human Serum Albumin. | 2 | 0.37 | 2006 |
| Folding degrees of azurins and pseudoazurins. Implications for structure and function. | 0 | 0.34 | 2005 |
| In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds through the Use of TOPS-MODE and 2D/3D Connectivity Indices. 2. Purine Derivatives. | 0 | 0.34 | 2005 |
| Designing Antibacterial Compounds through a Topological Substructural Approach. | 1 | 0.36 | 2004 |
| Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of σ-receptor antagonist activities | 6 | 0.57 | 2003 |
| In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivatives. | 2 | 0.42 | 2002 |
