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Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and artificial intelligence models 

Munteanu, Cristian-Robert; González-Díaz, Humberto; García, Rafael; Loza, Mabel; Pazos, A. (Bentham, 2015-09-01)
[Abstract] The molecular information encoding into molecular descriptors is the first step into in silico Chemoinformatics methods in Drug Design. The Machine Learning methods are a complex solution to find prediction ...
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Experimental study and random forest prediction model of microbiome cell surface hydrophobicity 

Liu, Yong; Tang, Shaoxun; Fernández-Lozano, Carlos; Munteanu, Cristian-Robert; Pazos, A.; Yu, Yi-zun; Tan, Zhiliang; González-Díaz, Humberto (Elsevier, 2016-11-09)
[Abstract] The cell surface hydrophobicity (CSH) is an assessable physicochemical property used to evaluate the microbial adhesion to the surface of biomaterials, which is an essential step in the microbial biofilm formation ...
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Perturbation theory/machine learning model of ChEMBL data for dopamine targets: docking, synthesis, and assay of new l-prolyl-l-leucyl-glycinamide peptidomimetics 

Ferreira da Costa, Joana; Silva, David; Caamaño, Olga; Brea, José M.; Loza, María Isabel; Munteanu, Cristian-Robert; Pazos, A.; García-Mera, Xerardo; González-Díaz, Humberto (American Chemical Society, 2018-05-23)
[Abstract] Predicting drug–protein interactions (DPIs) for target proteins involved in dopamine pathways is a very important goal in medicinal chemistry. We can tackle this problem using Molecular Docking or Machine Learning ...
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Classification of mild cognitive impairment and Alzheimer’s Disease with machine-learning techniques using 1H Magnetic Resonance Spectroscopy data 

Munteanu, Cristian-Robert; Fernández-Lozano, Carlos; Mato-Abad, Virginia; Pita-Fernández, Salvador; Álvarez-Linera, Juan; Hernández-Tamames, Juan Antonio; Pazos, A. (Elsevier, 2015-03-30)
[Abstract] Several magnetic resonance techniques have been proposed as non-invasive imaging biomarkers for the evaluation of disease progression and early diagnosis of Alzheimer’s Disease (AD). This work is the first ...
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Gastrointestinal Spatiotemporal mRNA Expression of Ghrelin vs Growth Hormone Receptor and New Growth Yield Machine Learning Model Based on Perturbation Theory 

Ran, Tao; Liu, Yong; Li, Hengzhi; Tang, Shaoxun; He, Zhixiong; Munteanu, Cristian-Robert; González-Díaz, Humberto; Tan, Zhiliang; Zhou, Chuanshe (Nature, 2016-07-27)
[Abstract] The management of ruminant growth yield has economic importance. The current work presents a study of the spatiotemporal dynamic expression of Ghrelin and GHR at mRNA levels throughout the gastrointestinal tract ...
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General machine learning model, review, and experimental-theoretic study of magnolol activity in enterotoxigenic induced oxidative stress 

Deng, Yanli; Liu, Yong; Tang, Shaoxun; Zhou, Chuanshe; Han, Xuefeng; Xiao, Wenjun; Pastur-Romay, L.A.; Vázquez-Naya, José-Manuel; Pereira-Loureiro, Javier; Munteanu, Cristian-Robert; Tang, Zhiliang (Bentham Science, 2017)
[Abstract] This study evaluated the antioxidative effects of magnolol based on the mouse model induced by Enterotoxigenic Escherichia coli (E. coli, ETEC). All experimental mice were equally treated with ETEC suspensions ...
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Molecular docking and machine learning analysis of Abemaciclib in colon cancer 

Liñares Blanco, José; Munteanu, Cristian-Robert; Pazos, A.; Fernández-Lozano, Carlos (BioMed Central Ltd., 2020-07-08)
[Abstract] Background - The main challenge in cancer research is the identification of different omic variables that present a prognostic value and personalised diagnosis for each tumour. The fact that the diagnosis is ...
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A methodology for the design of experiments in computational intelligence with multiple regression models 

Fernández-Lozano, Carlos; Gestal, M.; Munteanu, Cristian-Robert; Dorado, Julián; Pazos, A. (Peer J, 2016-12-01)
[Abstract] The design of experiments and the validation of the results achieved with them are vital in any research study. This paper focuses on the use of different Machine Learning approaches for regression tasks in the ...
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Applied Computational Techniques on Schizophrenia Using Genetic Mutations 

Aguiar-Pulido, Vanessa; Gestal, M.; Fernández-Lozano, Carlos; Rivero, Daniel; Munteanu, Cristian-Robert (Bentham, 2013-03-01)
[Abstract] Schizophrenia is a complex disease, with both genetic and environmental influence. Machine learning techniques can be used to associate different genetic variations at different genes with a (schizophrenic or ...
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Net-Net AutoML Selection of Artificial Neural Network Topology for Brain Connectome Prediction 

Barreiro, Enrique; Munteanu, Cristian-Robert; Gestal, M.; Rabuñal, Juan R.; Pazos, A.; González-Díaz, Humberto; Dorado, Julián (MDPI, 2020-02-14)
[Abstract] Brain Connectome Networks (BCNs) are defined by brain cortex regions (nodes) interacting with others by electrophysiological co-activation (edges). The experimental prediction of new interactions in BCNs ...
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Munteanu, Cristian-Robert (13)
Pazos, A. (9)González-Díaz, Humberto (7)Fernández-Lozano, Carlos (6)Gestal, M. (5)Dorado, Julián (4)Liu, Yong (3)Tang, Shaoxun (3)Tan, Zhiliang (2)Zhou, Chuanshe (2)... View MoreSubject
Machine learning (13)
QSAR models (2)Abemaciclib (1)Abomasum (1)Alzheimer’s disease (1)Animal feed (1)Antioxidative activity (1)Artificial neural networks (1)Bioinformatics (1)Brain connectome networks (1)... View MoreDate Issued2020 (3)2019 (1)2018 (1)2017 (1)2016 (3)2015 (2)2014 (1)2013 (1)
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