Chemoinformatics Profiling of the Chromone Nucleus as a MAO-B/A2AAR Dual Binding Scaffold
Cruz Monteagudo, Maykel, Borges, Fernanda, Cordeiro, M Natália D S, Helguera, Aliuska Morales, Tejera, Eduardo, Paz y Miño, Cesar, Sánchez Rodríguez, Aminael, Perera Sardiña, Yunier, Perez Castillo, Yunierkis
Published in Current neuropharmacology (01.11.2017)
Published in Current neuropharmacology (01.11.2017)
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Journal Article
Prioritizing Hits with Appropriate Trade-Offs Between HIV-1 Reverse Transcriptase Inhibitory Efficacy and MT4 Blood Cells Toxicity Through Desirability-Based Multiobjective Optimization and Ranking
Cruz-Monteagudo, Maykel, PhamThe, Hai, Cordeiro, M. Natalia D. S., Borges, Fernanda
Published in Molecular informatics (12.04.2010)
Published in Molecular informatics (12.04.2010)
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Journal Article
Net-Net Auto Machine Learning (AutoML) Prediction of Complex Ecosystems
Barreiro, Enrique, Munteanu, Cristian R., Cruz-Monteagudo, Maykel, Pazos, Alejandro, González-Díaz, Humbert
Published in Scientific reports (17.08.2018)
Published in Scientific reports (17.08.2018)
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Journal Article
A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents
Perez-Castillo, Yunierkis, Sánchez-Rodríguez, Aminael, Tejera, Eduardo, Cruz-Monteagudo, Maykel, Borges, Fernanda, Cordeiro, M Natália D S, Le-Thi-Thu, Huong, Pham-The, Hai
Published in PloS one (08.02.2018)
Published in PloS one (08.02.2018)
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Journal Article
Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity
Caballero-Alfonso, Ana Yisel, Cruz-Monteagudo, Maykel, Tejera, Eduardo, Benfenati, Emilio, Borges, Fernanda, Cordeiro, M Natália D S, Armijos-Jaramillo, Vinicio, Perez-Castillo, Yunierkis
Published in Current topics in medicinal chemistry (01.01.2019)
Published in Current topics in medicinal chemistry (01.01.2019)
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Journal Article
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems
Cruz-Monteagudo, Maykel, González-Díaz, Humberto, Agüero-Chapín, Guillermín, Santana, Lourdes, Borges, Fernanda, Domínguez, Elena Rosa, Podda, Gianni, Uriarte, Eugenio
Published in Journal of computational chemistry (01.08.2007)
Published in Journal of computational chemistry (01.08.2007)
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Journal Article
Complex Networks and Machine Learning: From Molecular to Social Sciences
Quesada, David, Cruz-Monteagudo, Maykel, Fletcher, Terace, Duardo-Sanchez, Aliuska, González-Díaz, Humbert
Published in Applied sciences (01.11.2019)
Published in Applied sciences (01.11.2019)
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Journal Article
Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles
Cruz-Monteagudo, Maykel, Borges, Fernanda, Cordeiro, M. Natália D. S.
Published in Journal of computational chemistry (15.11.2008)
Published in Journal of computational chemistry (15.11.2008)
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Journal Article
Consensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis
Tejera, Eduardo, Cruz-Monteagudo, Maykel, Burgos, Germán, Sánchez, María-Eugenia, Sánchez-Rodríguez, Aminael, Pérez-Castillo, Yunierkis, Borges, Fernanda, Cordeiro, Maria Natália Dias Soeiro, Paz-Y-Miño, César, Rebelo, Irene
Published in BMC medical genomics (08.08.2017)
Published in BMC medical genomics (08.08.2017)
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Journal Article
Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands
Perez-Castillo, Yunierkis, Helguera, Aliuska Morales, Cordeiro, M Natalia D S, Tejera, Eduardo, Paz-Y-Mino, Cesar, Sanchez-Rodriguez, Aminael, Borges, Fernanda, Cruz-Monteagudo, Maykel
Published in Current neuropharmacology (14.11.2017)
Published in Current neuropharmacology (14.11.2017)
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Journal Article
Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR
Cruz-Monteagudo, Maykel, Medina-Franco, José L, Perera-Sardiña, Yunier, Borges, Fernanda, Tejera, Eduardo, Paz-Y-Miño, Cesar, Pérez-Castillo, Yunierkis, Sánchez-Rodríguez, Aminael, Contreras-Posada, Zuleidys, Cordeiro, M Natália D S
Published in Current pharmaceutical design (01.01.2016)
Published in Current pharmaceutical design (01.01.2016)
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Journal Article
Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative
Martínez-Santiago, Oscar, Cabrera, Reisel Millán, Marrero-Ponce, Yovani, Barigye, Stephen J, Le-Thi-Thu, Huong, Torres, F Javier, Zambrano, Cesar H, Yaber-Goenaga, Ivan, Cruz-Monteagudo, Maykel, López, Yoan Martínez, Giménez, Facundo Pérez, Torrens, Francisco
Published in Current pharmaceutical design (01.01.2016)
Published in Current pharmaceutical design (01.01.2016)
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Journal Article
Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms
Martínez-Santiago, Oscar, Marrero-Ponce, Yovani, Barigye, Stephen J, Le Thi Thu, Huong, Torres, F Javier, Zambrano, Cesar H, Muñiz Olite, Jorge L, Cruz-Monteagudo, Maykel, Vivas-Reyes, Ricardo, Vázquez Infante, Liliana, Artiles Martínez, Luis M
Published in International journal of molecular sciences (01.06.2016)
Published in International journal of molecular sciences (01.06.2016)
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Journal Article
Evolutionary computation and QSAR research
Aguiar-Pulido, Vanessa, Gestal, Marcos, Cruz-Monteagudo, Maykel, Rabuñal, Juan R, Dorado, Julian, Munteanu, Cristian R
Published in Current computer-aided drug design (01.06.2013)
Published in Current computer-aided drug design (01.06.2013)
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Journal Article
Multidimensional Drug Design: Simultaneous Analysis of Binding and Relative Efficacy Profiles of N⁶-substituted-4′-thioadenosines A₃ Adenosine Receptor Agonists
Cruz-Monteagudo, Maykel, Cordeiro, M. Natália D.S, Teijeira, Marta, González, Maykel P, Borges, Fernanda
Published in Chemical biology & drug design (01.06.2010)
Published in Chemical biology & drug design (01.06.2010)
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Journal Article