2010
Pharmaceutical Perspectives of Nonlinear QSAR Strategies.
J. Chem. Inf. Model., 2010

Fingerprint-based detection of acute aquatic toxicity.
J. Cheminformatics, 2010

2009
Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates.
J. Chem. Inf. Model., 2009

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study.
J. Chem. Inf. Model., 2009

PCA-Based Representations of Graphs for Prediction in QSAR Studies.
Proceedings of the Artificial Neural Networks, 2009

2008
Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A<sub>2A</sub> Receptor.
J. Chem. Inf. Model., 2008