Maykel Cruz‐Monteagudo

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Maykel Cruz‐Monteagudo, José L. Medina‐Franco, Yunierkis Pérez‐Castillo et al. · Drug Discovery Today · 2014 · 192 citations

Pharmacy, Medicinal Chemistry, Pharmacology +9

Provisional Classification and <i>in Silico</i> Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

Hai Pham‐The, Teresa Garrigues, Marival Bermejo et al. · Molecular Pharmaceutics · 2013 · 92 citations

Pharmacy, Pharmaceutics, Pharmacology +15

Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems

Maykel Cruz‐Monteagudo, Humberto González‐Díaz, Guillermı́n Agüero-Chapin et al. · Journal of Computational Chemistry · 2007 · 72 citations

Pharmacy, Chemistry, Computational Chemistry +15

Computational chemistry approach for the early detection of drug‐induced idiosyncratic liver toxicity

Maykel Cruz‐Monteagudo, M. Natália D. S. Cordeiro, Fernanda Borges · Journal of Computational Chemistry · 2007 · 56 citations

Pharmacy, Pharmacology, Toxicology +16

Desirability‐based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles

Maykel Cruz‐Monteagudo, Fernanda Borges, M. Natália D. S. Cordeiro · Journal of Computational Chemistry · 2008 · 54 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17