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Artículos de Reisel

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Experiencia y educación

  • Microsoft

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Publicaciones

  • Multi-Server Approach for High-Throughput Molecular Descriptors Calculation based on Multi-Linear Algebraic Maps

    Molecular Informatics/Wiley

    Introduces a novel module of the QuBiLS-MIDAS software for the distributed computation of the 3D Multi-Linear algebraic molecular indices. The main motivation for developing this module is to deal with the computational complexity experienced during the calculation of the descriptors over large datasets. To accomplish this task, a multi-server computing platform named T-arenal was developed, which is suited for institutions with many workstations interconnected through a local network and…

    Introduces a novel module of the QuBiLS-MIDAS software for the distributed computation of the 3D Multi-Linear algebraic molecular indices. The main motivation for developing this module is to deal with the computational complexity experienced during the calculation of the descriptors over large datasets. To accomplish this task, a multi-server computing platform named T-arenal was developed, which is suited for institutions with many workstations interconnected through a local network and without resources particularly destined for computation tasks. This new system was deployed in 337 workstations and it was perfectly integrated with the QuBiLS-MIDAS software. To illustrate the usability of the T-arenal platform, performance tests over a dataset comprised of 15?000 compounds are carried out, yielding a 52 and 60 fold reduction in the sequential processing time for the 2-Linear and 3-Linear indices, respectively. Therefore, it can be stated that the T-arenal based distribution of computation tasks constitutes a suitable strategy for performing high-throughput calculations of 3D Multi-Linear descriptors over thousands of chemical structures for posterior QSAR and/or E-Tox studies.

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Proyectos

  • Academic Analytics

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    Academic Analytics in the domain of Academics Analytics for Caribbean Higher Education institutions. Sponsored by the Centre of Excellence (CoE) at the Mona School of Business and Management (MSBM), Jamaica.

    Otros creadores
  • Human Activity recognition based on Wearable Sensors

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    Human Activity recognition based on Wearable Sensors for Healthcare.

  • Machine Learning models for predicting financial and costumers affairs frauds

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    Machine Learning models for predicting financial and costumers affairs frauds.

  • Agile BI through DaaS

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    Agile BI through DaaS for corporate renewal and transformation. Sponsored by the National Commercial Bank (NCB Jamaica Ltd) and Mona School of Business and Management (MSBM), Jamaica.

    Otros creadores
  • Data Analysis software to develop coarse-graining models on proteins

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    Data Analysis software to develop coarse-graining models on proteins.

    Otros creadores
  • Machine Learning and features engineering models in genotoxic/epigenetic prediction (Toxicology/Carcinogenicity)

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    Machine Learning and features engineering models in genotoxic/epigenetic prediction (Toxicology/Carcinogenicity - US Food and Drug istration).

  • Online Repository of procedures for discovery of chemical compounds

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    Online Repository of procedures for discovery of chemical compounds, International Union of Pure and Applied Chemistry (IUPAC).

  • QuBiLs-MIDAS

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    QuBiLs-MIDAS: parallel and distributed software for the calculation of 3D molecular descriptors based on the two-linear (bilinear), three-lineal and four-linear (multi-linear or N-linear) algebraic forms.

    Otros creadores
  • ToMoCoMD Framework

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    Methods and tools for Chem-Bio-Med-Informatic Studies.

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  • T-arenal: Distributed Task Platform

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    A distributed computing system created with the purpose of using a large number of computational resources under its control in a local network, without limitations in the size of the system. To this end, a multi-server approach was implemented by combining the peer-to-peer and client-server architectures within one model, in such way that the servers can work together without losing computational power.

    Otros creadores
  • SIMON v2.0

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    SIMON v2.0: a Business Intelligence system for monitoring the use and exploitation of workstations (computational resources) in order to optimize energy consumption based on Machine Learning models.

    Otros creadores
  • Bioinformatics Services Platform

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    Bioinformatics Services Platform project, a web based platform for the cuban Biotechnology industry.

    Otros creadores

Idiomas

  • Español

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Empresas

  • Association for Computing Machinery (ACM)

    Professional hip

    - actualidad

    Association for Computing Machinery (ACM) is the world's largest educational and scientific society, uniting computing educators, researchers and professionals to inspire dialogue, share resources and address the field's challenges.

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