Publicaciones en las que colabora con Humberto González Díaz (73)

2024

  1. MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products

    Journal of Cheminformatics, Vol. 16, Núm. 1

2023

  1. MATEO HPTML model data

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  2. MATEO HPTML model data

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  3. SI02_MATEO Ref Recctions.xlsx

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  4. SI02_MATEO Ref Recctions.xlsx

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2021

  1. Prediction of anti-glioblastoma drug-decorated nanoparticle delivery systems using molecular descriptors and machine learning

    International Journal of Molecular Sciences, Vol. 22, Núm. 21

2020

  1. A multi-objective approach for anti-osteosarcoma cancer agents discovery through drug repurposing

    Pharmaceuticals, Vol. 13, Núm. 11, pp. 1-16

  2. Gene prioritization through consensus strategy, enrichment methodologies analysis, and networking for osteosarcoma pathogenesis

    International Journal of Molecular Sciences, Vol. 21, Núm. 3

  3. MCDcalc: Markov chain molecular descriptors calculator for medicinal chemistry

    Current Topics in Medicinal Chemistry, Vol. 20, Núm. 4, pp. 305-317

  4. Net-net autoML selection of artificial neural network topology for brain connectome prediction

    Applied Sciences (Switzerland), Vol. 10, Núm. 4

  5. OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine

    Scientific Reports, Vol. 10, Núm. 1

  6. Perturbation-theory machine learning (PTML) multilabel model of the CheMBL dataset of preclinical assays for antisarcoma compounds

    ACS Omega, Vol. 5, Núm. 42, pp. 27211-27220

  7. Prediction of antimalarial drug-decorated nanoparticle delivery systems with random forest models

    Biology, Vol. 9, Núm. 8, pp. 1-15

  8. Prediction of breast cancer proteins involved in immunotherapy, metastasis, and RNA-binding using molecular descriptors and artificial neural networks

    Scientific Reports, Vol. 10, Núm. 1

  9. Ptml multi-label algorithms: Models, software, and applications

    Current Topics in Medicinal Chemistry, Vol. 20, Núm. 25, pp. 2326-2337

2019

  1. MCDCalc Values for Chemical Reactivity

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  2. MCDCalc Values for Chemical Reactivity

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  3. MCDCalc Values for Chemical Reactivity and Biological Activity

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  4. MCDCalc Values for Enantioselective α-Amidoalkylation Reac.

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  5. MCDCalc Values for Enantioselective α-Amidoalkylation Reac.

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