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. - Ernesto Estrada; Santiago Vilar; Eugenio Uriarte; Yaquelin Gutierrez (J. Chem. Inf. Comput. Sci., 2002)

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. - Santiago Vilar; Ernesto Estrada; Eugenio Uriarte; Lourdes Santana; Yaquelin Gutierrez (J. Chem. Inf. Model., 2005)

Inhibitor docking screened by the modified SAFE_p scoring function: Application to cyclic urea HIV-1 PR inhibitors. - Santiago Vilar; M. Carmen Villaverde; Fredy Sussman (J. Comput. Chem., 2007)

QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks. - Santiago Vilar; Humberto González Díaz; Lourdes Santana; Eugenio Uriarte (J. Comput. Chem., 2008)

Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta2-adrenergic receptor. - Santiago Vilar; Joel Karpiak; Stefano Costanzi (J. Comput. Chem., 2010)

Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks. - Cristian R. Munteanu; Julián Dorado; Alejandro Pazos Sierra; Francisco J. Prado-Prado; L. G. Pérez-Montoto; Santiago Vilar; Florencio M. Ubeira; Angeles Sánchez-Gonzaléz; Maykel Cruz-Monteagudo; Sonia Arrasate; Nuria Sotomayor; Esther Lete; et al. (Towards an Information Theory of Complex Networks, 2011)

Facilitating adverse drug event detection in pharmacovigilance databases using molecular structure similarity: application to rhabdomyolysis. - Santiago Vilar; Rave Harpaz; Herbert S. Chase; Stefano Costanzi; Raul Rabadan; Carol Friedman (J. Am. Medical Informatics Assoc., 2011)

Drug-drug interaction through molecular structure similarity analysis. - Santiago Vilar; Rave Harpaz; Eugenio Uriarte; Lourdes Santana; Raul Rabadan; Carol Friedman (J. Am. Medical Informatics Assoc., 2012)

In Silico screening for agonists and blockers of the β2 adrenergic receptor: Implications of inactive and activated state structures. - Stefano Costanzi; Santiago Vilar (J. Comput. Chem., 2012)

Combing signals from spontaneous reports and electronic health records for detection of adverse drug reactions. - Rave Harpaz; Santiago Vilar; William DuMouchel; Hojjat Salmasian; Krystl Haerian; Nigam H. Shah; Herbert S. Chase; Carol Friedman (J. Am. Medical Informatics Assoc., 2013)

Combining Heterogeneous Databases to Detect Adverse Drug Reaction. - Ying Li; Santiago Vilar; Ying Wei; Carol Friedman (AMIA, 2014)

A method for controlling complex confounding effects in the detection of adverse drug reactions using electronic health records. - Ying Li; Hojjat Salmasian; Santiago Vilar; Herbert S. Chase; Carol Friedman; Ying Wei (J. Am. Medical Informatics Assoc., 2014)

Toward a complete dataset of drug-drug interaction information from publicly available sources. - Serkan Ayvaz; John R. Horn; Oktie Hassanzadeh; Qian Zhu 003; Johann Stan; Nicholas P. Tatonetti; Santiago Vilar; Mathias Brochhausen; Matthias Samwald; Majid Rastegar-Mojarad; Michel Dumontier; Richard D. Boyce (J. Biomed. Informatics, 2015)

Leveraging 3D chemical similarity, target and phenotypic data in the identification of drug-protein and drug-adverse effect associations. - Santiago Vilar; George Hripcsak (J. Cheminformatics, 2016)

The role of drug profiles as similarity metrics: applications to repurposing, adverse effects detection and drug-drug interactions. - Santiago Vilar; George Hripcsak (Briefings Bioinform., 2017)

Detection of drug-drug interactions through data mining studies using clinical sources, scientific literature and social media. - Santiago Vilar; Carol Friedman; George Hripcsak (Briefings Bioinform., 2018)