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Data analysis in chemistry and bio-medical sciences
(MPDI, 2016-12-14)
A methodology for the design of experiments in computational intelligence with multiple regression models
(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 ...
Perturbation theory/machine learning model of ChEMBL data for dopamine targets: docking, synthesis, and assay of new l-prolyl-l-leucyl-glycinamide peptidomimetics
(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 ...
Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and artificial intelligence models
(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 ...
Experimental and computational studies of fatty acid distribution networks
(Royal Society of Chemistry, 2015-08-06)
[Abstract] Unbalanced uptake of Omega 6/Omega 3 (ω-6/ω-3) ratios could increase chronic disease occurrences, such as inflammation, atherosclerosis, or tumor proliferation, and methylation methods for measuring the ruminal ...
Prediction of high anti-angiogenic activity peptides in silico using a generalized linear model and feature selection
(Nature, 2018-10-24)
[Abstract] Screening and in silico modeling are critical activities for the reduction of experimental costs. They also speed up research notably and strengthen the theoretical framework, thus allowing researchers to ...
Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: polarography experimental study and machine learning models using star graph trace invariants of Raman spectra
(MDPI, 2017-11-11)
[Abstract] This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first ...
Parallel computing for brain simulation
(Bentham Science, 2017-05-01)
[Abstract] Background: The human brain is the most complex system in the known universe, it is therefore one of the greatest mysteries. It provides human beings with extraordinary abilities. However, until now it has not ...
Gene Prioritization through Consensus Strategy, Enrichment Methodologies Analysis, and Networking for Osteosarcoma Pathogenesis
(M D P I AG, 2020-02-05)
[Abstract] Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recent years, several studies have focused on elucidating the molecular mechanisms of this sarcoma; however, its ...
Population Subset Selection for the Use of a Validation Dataset for Overfitting Control in Genetic Programming
(Taylor & Francis Group, 2019-07-31)
[Abstract] Genetic Programming (GP) is a technique which is able to solve different problems through the evolution of mathematical expressions. However, in order to be applied, its tendency to overfit the data is one of ...