Maykel Cruz-Monteagudo

发表

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

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2008, J. Comput. Chem..

Complex Networks and Machine Learning: From Molecular to Social Sciences

Humbert González-Díaz, Maykel Cruz-Monteagudo, Aliuska Duardo-Sanchez, 2019 .

A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents

Maykel Cruz-Monteagudo, Eduardo Tejera, Yunierkis Perez-Castillo, 2018, PloS one.

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, Fernanda Borges, Humberto González Díaz, 2007, J. Comput. Chem..

Evolutionary computation and QSAR research.

Maykel Cruz-Monteagudo, Marcos Gestal, Julian Dorado, 2013, Current computer-aided drug design.

CompScore: boosting structure-based virtual screening performance by incorporating docking scoring functions components into consensus scoring

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2019 .

Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks

Maykel Cruz-Monteagudo, Alejandro Pazos, Cristian R. Munteanu, 2011, Towards an Information Theory of Complex Networks.

SMANN: AutoML Screening Model of Artificial Neural Networks for Brain Connectome

Humbert González-Díaz, Maykel Cruz-Monteagudo, Cristian R. Munteanu, 2017 .

Recent Trends on QSAR in the Pharmaceutical Perceptions

Mukesh Doble, Alan Talevi, M. Natália D. S. Cordeiro, 2018 .

CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Eduardo Tejera, 2019, J. Chem. Inf. Model..

Unify Markov model for Rational Design and Synthesis of More Safe Drugs. Predicting Multiple Drugs Side Effects

Maykel Cruz-Monteagudo, Yunierkis Pérez-Castillo, Reinaldo Molina-Ruiz, 2005 .

Ensemble-based modeling of chemical compounds with antimalarial activity.

Maykel Cruz-Monteagudo, Fernanda Borges, Emilio Benfenati, 2019, Current topics in medicinal chemistry.

Desirability-based multi-criteria virtual screening of selective antimicrobial cyclic β-hairpin cationic peptidomimetics.

Maykel Cruz-Monteagudo, Fernanda Borges, M Natália D S Cordeiro, 2013, Current pharmaceutical design.

Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson’s Disease Dual Target Ligands

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2017, Current neuropharmacology.

Chemoinformatics Profiling of Ionic Liquids Cytotoxicity—From Machine Learning to Network-Like Similarity Graphs

Maykel Cruz-Monteagudo, Eduardo Tejera, Aminael Sánchez-Rodríguez, 2015 .

From flamingo dance to (desirable) drug discovery: a nature-inspired approach.

Stephan C Schürer, Maykel Cruz-Monteagudo, Fernanda Borges, 2017, Drug discovery today.

Special issue: multi-criteria approaches in computer-aided drug discovery.

Maykel Cruz-Monteagudo, 2012, Mini reviews in medicinal chemistry.

Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR.

Maykel Cruz-Monteagudo, Fernanda Borges, José L Medina-Franco, 2016, Current pharmaceutical design.

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Eduardo Tejera, 2015, J. Chem. Inf. Model..

Net-Net Auto Machine Learning (AutoML) Prediction of Complex Ecosystems

Humbert González-Díaz, Maykel Cruz-Monteagudo, Alejandro Pazos, 2018, Scientific Reports.

Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2011, J. Chem. Inf. Model..

Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2AAdenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors.

Maykel Cruz-Monteagudo, Fernanda Borges, Eduardo Tejera, 2016, Current pharmaceutical design.

Improved virtual screening performance through docking scoring fusion in the discovery of dual target ligands for Parkinson’s disease

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2015 .

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

Maykel Cruz-Monteagudo, Fernanda Borges, Hai PhamThe, 2010, Molecular informatics.

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

Maykel Cruz-Monteagudo, Ann Nowé, Yunierkis Pérez-Castillo, 2014, Molecular Diversity.

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

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Fernanda Borges, 2008, J. Comput. Chem..

Computational modeling tools for the design of potent antimalarial bisbenzamidines: overcoming the antimalarial potential of pentamidine.

Maykel Cruz-Monteagudo, Fernanda Borges, M. Cruz-Monteagudo, 2007, Bioorganic & medicinal chemistry.

Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

Maykel Cruz-Monteagudo, Guillermin Agüero-Chapin, Humberto González-Díaz, 2008 .

Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model.

Maykel Cruz-Monteagudo, Humberto González-Díaz, Eugenio Uriarte, 2005, Bioorganic & medicinal chemistry.

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy.

Maykel Cruz-Monteagudo, M Natália D S Cordeiro, Humberto González-Díaz, 2008, Chemical research in toxicology.

Global antifungal profile optimization of chlorophenyl derivatives against Botrytis cinerea and Colletotrichum gloeosporioides.

Maykel Cruz-Monteagudo, M. Cruz-Monteagudo, Liane Saíz-urra, 2009, Journal of agricultural and food chemistry.

Recent advances on QSAR-based profiling of agonist and antagonist A3 adenosine receptor ligands.

Maykel Cruz-Monteagudo, Feng Luan, M Natália D S Cordeiro, 2013, Current topics in medicinal chemistry.

Research Highlights : We introduce a new concept , the systemic chemogenomics / QSAR

José L. Medina-Franco, Maykel Cruz-Monteagudo, Stephan Schürer, 2017 .

Chemoinformatics profiling of ionic liquids--automatic and chemically interpretable cytotoxicity profiling, virtual screening, and cytotoxicophore identification.

Maykel Cruz-Monteagudo, Miguel Jorge, Evys Ancede-Gallardo, 2013, Toxicological sciences : an official journal of the Society of Toxicology.

Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative.

Maykel Cruz-Monteagudo, Francisco Torrens, Yovani Marrero-Ponce, 2016, Current pharmaceutical design.

Desirability-based multi-objective QSAR in drug discovery.

Maykel Cruz-Monteagudo, Eduardo Tejera, Fernanda Borges, 2012, Mini reviews in medicinal chemistry.

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

Maykel Cruz-Monteagudo, José L Medina-Franco, Orazio Nicolotti, 2014, Drug discovery today.

Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects.

Maykel Cruz-Monteagudo, Humberto González-Díaz, H. González-Díaz, 2005, European journal of medicinal chemistry.

QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices.

Maykel Cruz-Monteagudo, Lourdes Santana, Humberto González-Díaz, 2005, Bioorganic & medicinal chemistry letters.

Efficient and biologically relevant consensus strategy for Parkinson’s disease gene prioritization

M. Natália D. S. Cordeiro, Maykel Cruz-Monteagudo, Eduardo Tejera, 2016, BMC Medical Genomics.

Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

Maykel Cruz-Monteagudo, Lourdes Santana, Humberto González-Díaz, 2007 .