56 research outputs found

    Using Statistics, Computational Modelling and Artificial Intelligence Methods to Study and Strengthen the Link between Kinematic Impacts and mTBIs

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    Mild traumatic brain injuries (mTBIs) are frequently occurring, yet poorly understood, injuries in sports (e.g., ice hockey) and other physical recreation activities where head impacts occur. Helmets are essential pieces of equipment used to protect participants’ heads from mTBIs. Evaluating the performance of helmets to prevent mTBIs using simulations on anatomically accurate computational head finite element models is critically important for advancing the development of safer helmets. Advancing the level of detail in, and access to, such models, and their continued validation through state-of-the-art brain imaging methods and traditional head injury assessment procedures, is also essential to improve safety. The significant research contributions in this thesis involve evaluating the decrease in blunt impact-induced brain axon fiber tract strains that various helmets provide by studying outputs of existing finite element brain models and implementing open-source artificial intelligence technology to create a novel pipeline for predicting such strains

    Mri-Based Radiomics in Breast Cancer:Optimization and Prediction

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    Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

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    This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs

    High-Performance Modelling and Simulation for Big Data Applications

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    This open access book was prepared as a Final Publication of the COST Action IC1406 “High-Performance Modelling and Simulation for Big Data Applications (cHiPSet)“ project. Long considered important pillars of the scientific method, Modelling and Simulation have evolved from traditional discrete numerical methods to complex data-intensive continuous analytical optimisations. Resolution, scale, and accuracy have become essential to predict and analyse natural and complex systems in science and engineering. When their level of abstraction raises to have a better discernment of the domain at hand, their representation gets increasingly demanding for computational and data resources. On the other hand, High Performance Computing typically entails the effective use of parallel and distributed processing units coupled with efficient storage, communication and visualisation systems to underpin complex data-intensive applications in distinct scientific and technical domains. It is then arguably required to have a seamless interaction of High Performance Computing with Modelling and Simulation in order to store, compute, analyse, and visualise large data sets in science and engineering. Funded by the European Commission, cHiPSet has provided a dynamic trans-European forum for their members and distinguished guests to openly discuss novel perspectives and topics of interests for these two communities. This cHiPSet compendium presents a set of selected case studies related to healthcare, biological data, computational advertising, multimedia, finance, bioinformatics, and telecommunications

    A review on machine learning approaches and trends in drug discovery

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    Abstract: Drug discovery aims at finding new compounds with specific chemical properties for the treatment of diseases. In the last years, the approach used in this search presents an important component in computer science with the skyrocketing of machine learning techniques due to its democratization. With the objectives set by the Precision Medicine initiative and the new challenges generated, it is necessary to establish robust, standard and reproducible computational methodologies to achieve the objectives set. Currently, predictive models based on Machine Learning have gained great importance in the step prior to preclinical studies. This stage manages to drastically reduce costs and research times in the discovery of new drugs. This review article focuses on how these new methodologies are being used in recent years of research. Analyzing the state of the art in this field will give us an idea of where cheminformatics will be developed in the short term, the limitations it presents and the positive results it has achieved. This review will focus mainly on the methods used to model the molecular data, as well as the biological problems addressed and the Machine Learning algorithms used for drug discovery in recent years.Instituto de Salud Carlos III; PI17/01826Instituto de Salud Carlos III; PI17/01561Xunta de Galicia; Ref. ED431D 2017/16Xunta de Galicia; Ref. ED431D 2017/23Xunta de Galicia; Ref. ED431C 2018/4
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