Maykel Cruz-Monteagudo
0000-0003-4042-5794
41 papers found
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A probabilistic strategy of data fusion for the classification and virtual screening of anticoccidial drug candidates | Clasificación y cribado virtual de candidatos a fármaco anticoccidiales mediante el empleo de una estrategia probabilística de combinatión de la informatión
Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks
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
Desirability-based simultaneous analysis of binding and relative efficacy profiles of A3 adenosine receptor agonists
Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor
Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues
Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles
Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries
Quantitative Proteome-Property Relationships (QPPRs). Part 1: Finding biomarkers of organic drugs with mean Markov connectivity indices of spiral networks of blood mass spectra
Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
3D-MEDNEs: An Alternative "in Silico" Technique for Chemical Research in Toxicology. 2. Quantitative Proteome-Toxicity Relationships (QPTR) based on Mass Spectrum Spiral Entropy
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems
Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine
Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies
Simple stochastic fingerprints towards mathematical modeling in biology and medicine. 3. ocular irritability classification model
Simple Stochastic Fingerprints Towards Mathematical Modeling in Biology and Medicine 2. Unifying Markov Model for Drugs Side Effects
Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects
QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model
Markovian negentropies in bioinformatics. A picture of footprints after the interaction of the HIV-1 Ψ-RNA packaging region with drugs
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