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Articles 991 - 1020 of 2075

Full-Text Articles in Computer Sciences

Organelle_Pba, A Pipeline For Assembling Chloroplast And Mitochondrial Genomes From Pacbio Dna Sequencing Data, Aboozar Soorni, David Haak, David Zaitlin, Aureliano Bombarely Jan 2017

Organelle_Pba, A Pipeline For Assembling Chloroplast And Mitochondrial Genomes From Pacbio Dna Sequencing Data, Aboozar Soorni, David Haak, David Zaitlin, Aureliano Bombarely

Kentucky Tobacco Research and Development Center Faculty Publications

Background: The development of long-read sequencing technologies, such as single-molecule real-time (SMRT) sequencing by PacBio, has produced a revolution in the sequencing of small genomes. Sequencing organelle genomes using PacBio long-read data is a cost effective, straightforward approach. Nevertheless, the availability of simple-to-use software to perform the assembly from raw reads is limited at present.

Results: We present Organelle-PBA, a Perl program designed specifically for the assembly of chloroplast and mitochondrial genomes. For chloroplast genomes, the program selects the chloroplast reads from a whole genome sequencing pool, maps the reads to a reference sequence from a closely related species, and …


Unboxing Cluster Heatmaps, Sophie J. Engle, S. Whalen, Alark Joshi, K. Pollard Jan 2017

Unboxing Cluster Heatmaps, Sophie J. Engle, S. Whalen, Alark Joshi, K. Pollard

Computer Science

Background: Cluster heatmaps are commonly used in biology and related fields to reveal hierarchical clusters in data matrices. This visualization technique has high data density and reveal clusters better than unordered heatmaps alone. However, cluster heatmaps have known issues making them both time consuming to use and prone to error. We hypothesize that visualization techniques without the rigid grid constraint of cluster heatmaps will perform better at clustering-related tasks.

Results: We developed an approach to “unbox” the heatmap values and embed them directly in the hierarchical clustering results, allowing us to use standard hierarchical visualization techniques as alternatives …


Transcription Through The Eye Of A Needle: Daily And Annual Cyclic Gene Expression Variation In Douglas-Fir Needles, Peter Dolan Jan 2017

Transcription Through The Eye Of A Needle: Daily And Annual Cyclic Gene Expression Variation In Douglas-Fir Needles, Peter Dolan

Computer Science Publications

Background: Perennial growth in plants is the product of interdependent cycles of daily and annual stimuli that induce cycles of growth and dormancy. In conifers, needles are the key perennial organ that integrates daily and seasonal signals from light, temperature, and water availability. To understand the relationship between seasonal cycles and seasonal gene expression responses in conifers, we examined diurnal and circannual needle mRNA accumulation in Douglas-fir (Pseudotsuga menziesii) needles at diurnal and circannual scales. Using mRNA sequencing, we sampled 6.1 × 109 reads from 19 trees and constructed a de novo pan-transcriptome reference that includes 173,882 tree-derived transcripts. Using …


Mass Transfer Effects Of Particle Size On Brewing Espresso, Sichen Zhong, Lauren Elizabeth Stork Jan 2017

Mass Transfer Effects Of Particle Size On Brewing Espresso, Sichen Zhong, Lauren Elizabeth Stork

Rose-Hulman Undergraduate Research Publications

The extraction process for coffee is complicated due to the nature of the coffee. In this paper, we studied the particle size distribution for coffee grinds and further analyzed that with the help of an inverted microscope and a scanning electron microscope. We drew a conclusion that the coffee grinds can be divided into two parts: cell fragments with smaller particles size and intact coffee cells with larger particles. The intact coffee cell was found to be a porous media. Therefore, we tried to brew the espresso with both normal grind size coffee and sieved coffee to study the extraction …


Road Accidents Bigdata Mining And Visualization Using Support Vector Machines, Usha Lokala, Srinivas Nowduri, Prabhakar K. Sharma Jan 2017

Road Accidents Bigdata Mining And Visualization Using Support Vector Machines, Usha Lokala, Srinivas Nowduri, Prabhakar K. Sharma

Kno.e.sis Publications

Useful information has been extracted from the road accident data in United Kingdom (UK), using data analytics method, for avoiding possible accidents in rural and urban areas. This analysis make use of several methodologies such as data integration, support vector machines (SVM), correlation machines and multinomial goodness. The entire datasets have been imported from the traffic department of UK with due permission. The information extracted from these huge datasets forms a basis for several predictions, which in turn avoid unnecessary memory lapses. Since data is expected to grow continuously over a period of time, this work primarily proposes a new …


Relatedness-Based Multi-Entity Summarization, Kalpa Gunaratna, Amir Hossein Yazdavar, Krishnaprasad Thirunarayan, Amit Sheth, Gong Cheng Jan 2017

Relatedness-Based Multi-Entity Summarization, Kalpa Gunaratna, Amir Hossein Yazdavar, Krishnaprasad Thirunarayan, Amit Sheth, Gong Cheng

Kno.e.sis Publications

Representing world knowledge in a machine processable format is important as entities and their descriptions have fueled tremendous growth in knowledge-rich information processing platforms, services, and systems. Prominent applications of knowledge graphs include search engines (e.g., Google Search and Microsoft Bing), email clients (e.g., Gmail), and intelligent personal assistants (e.g., Google Now, Amazon Echo, and Apple’s Siri). In this paper, we present an approach that can summarize facts about a collection of entities by analyzing their relatedness in preference to summarizing each entity in isolation. Specifically, we generate informative entity summaries by selecting: (i) inter-entity facts that are similar and …


An Out-Of-Core Gpu Based Dimensionality Reduction Algorithm For Big Mass Spectrometry Data And Its Application In Bottom-Up Proteomics, Muaaz Awan, Fahad Saeed Jan 2017

An Out-Of-Core Gpu Based Dimensionality Reduction Algorithm For Big Mass Spectrometry Data And Its Application In Bottom-Up Proteomics, Muaaz Awan, Fahad Saeed

Parallel Computing and Data Science Lab Technical Reports

Modern high resolution Mass Spectrometry instruments can generate millions of spectra in a single systems biology experiment. Each spectrum consists of thousands of peaks but only a small number of peaks actively contribute to deduction of peptides. Therefore, pre-processing of MS data to detect noisy and non-useful peaks are an active area of research. Most of the sequential noise reducing algorithms are impractical to use as a pre-processing step due to high time-complexity. In this paper, we present a GPU based dimensionality-reduction algorithm, called G-MSR, for MS2 spectra. Our proposed algorithm uses novel data structures which optimize the memory and …


Gpu-Pcc: A Gpu Based Technique To Compute Pairwise Pearson’S Correlation Coefficients For Big Fmri Data, Taban Eslami, Muaaz Gul Awan, Fahad Saeed Jan 2017

Gpu-Pcc: A Gpu Based Technique To Compute Pairwise Pearson’S Correlation Coefficients For Big Fmri Data, Taban Eslami, Muaaz Gul Awan, Fahad Saeed

Parallel Computing and Data Science Lab Technical Reports

Functional Magnetic Resonance Imaging (fMRI) is a non-invasive brain imaging technique for studying the brain’s functional activities. Pearson’s Correlation Coefficient is an important measure for capturing dynamic behaviors and functional connectivity between brain components. One bottleneck in computing Correlation Coefficients is the time it takes to process big fMRI data. In this paper, we propose GPU-PCC, a GPU based algorithm based on vector dot product, which is able to compute pairwise Pearson’s Correlation Coefficients while performing computation once for each pair. Our method is able to compute Correlation Coefficients in an ordered fashion without the need to do post-processing reordering …


Identifying Parkinson’S Patients: A Functional Gradient Boosting Approach, D. S. Dhami, Ameet Soni, D. Page, S. Natarajan Jan 2017

Identifying Parkinson’S Patients: A Functional Gradient Boosting Approach, D. S. Dhami, Ameet Soni, D. Page, S. Natarajan

Computer Science Faculty Works

Parkinson’s, a progressive neural disorder, is difficult to identify due to the hidden nature of the symptoms associated. We present a machine learning approach that uses a definite set of features obtained from the Parkinson’s Progression Markers Initiative (PPMI) study as input and classifies them into one of two classes: PD (Parkinson’s disease) and HC (Healthy Control). As far as we know this is the first work in applying machine learning algorithms for classifying patients with Parkinson’s disease with the involvement of domain expert during the feature selection process. We evaluate our approach on 1194 patients acquired from Parkinson’s Progression …


A Novel Approach For Classifying Gene Expression Data Using Topic Modeling, Soon Jye Kho, Himi Yalamanchili, Michael L. Raymer, Amit Sheth Jan 2017

A Novel Approach For Classifying Gene Expression Data Using Topic Modeling, Soon Jye Kho, Himi Yalamanchili, Michael L. Raymer, Amit Sheth

Kno.e.sis Publications

Understanding the role of differential gene expression in cancer etiology and cellular process is a complex problem that continues to pose a challenge due to sheer number of genes and inter-related biological processes involved. In this paper, we employ an unsupervised topic model, Latent Dirichlet Allocation (LDA) to mitigate overfitting of high-dimensionality gene expression data and to facilitate understanding of the associated pathways. LDA has been recently applied for clustering and exploring genomic data but not for classification and prediction. Here, we proposed to use LDA inclustering as well as in classification of cancer and healthy tissues using lung cancer …


K-Mer Analysis Pipeline For Classification Of Dna Sequences From Metagenomic Samples, Russell Kaehler Jan 2017

K-Mer Analysis Pipeline For Classification Of Dna Sequences From Metagenomic Samples, Russell Kaehler

Graduate Student Theses, Dissertations, & Professional Papers

Biological sequence datasets are increasing at a prodigious rate. The volume of data in these datasets surpasses what is observed in many other fields of science. New developments wherein metagenomic DNA from complex bacterial communities is recovered and sequenced are producing a new kind of data known as metagenomic data, which is comprised of DNA fragments from many genomes. Developing a utility to analyze such metagenomic data and predict the sample class from which it originated has many possible implications for ecological and medical applications. Within this document is a description of a series of analytical techniques used to process …


Computational Methods For Prediction And Classification Of G Protein-Coupled Receptors, Khodeza Begum Jan 2017

Computational Methods For Prediction And Classification Of G Protein-Coupled Receptors, Khodeza Begum

Open Access Theses & Dissertations

G protein-coupled receptors (GPCRs) constitute the largest group of membrane receptor proteins in eukaryotes. Due to their significant roles in many physiological processes such as vision, smell, and inflammation, GPCRs are the targets of many prescribed drugs. However, the functional and structural diversity of GPCRs has kept their prediction and classification based on amino acid sequence data as a challenging bioinformatics problem. As existing computational methods to predict and classify GPCRs are focused on mammalian (mostly human) data, the ultimate goal of our project is to establish an ensemble approach and implement a web-based software that can be used reliably …


A Semantics-Based Measure Of Emoji Similarity, Sanjaya Wijeratne, Lakshika Balasuriya, Amit Sheth, Derek Doran Jan 2017

A Semantics-Based Measure Of Emoji Similarity, Sanjaya Wijeratne, Lakshika Balasuriya, Amit Sheth, Derek Doran

Kno.e.sis Publications

Emoji have grown to become one of the most important forms of communication on the web. With its widespread use, measuring the similarity of emoji has become an important problem for contemporary text processing since it lies at the heart of sentiment analysis, search, and interface design tasks. This paper presents a comprehensive analysis of the semantic similarity of emoji through embedding models that are learned over machine-readable emoji meanings in the EmojiNet knowledge base. Using emoji descriptions, emoji sense labels and emoji sense definitions, and with different training corpora obtained from Twitter and Google News, we develop and test …


Identifying Depressive Disorder In The Twitter Population, Goonmeet Bajaj, Amir Hossein Yazdavar, Krishnaprasad Thirunarayan, Amit Sheth Jan 2017

Identifying Depressive Disorder In The Twitter Population, Goonmeet Bajaj, Amir Hossein Yazdavar, Krishnaprasad Thirunarayan, Amit Sheth

Kno.e.sis Publications

Depression is a highly prevalent public health challenge and a major cause of disability across the globe.

  • Annually 6.7% of Americans (that is, more than 16 million).
  • Traditional approaches to curb depression involve survey·based methods via phone or online questionnaires.
  • Large temporal gaps and cognitive bias.

Social media provides a method for learning users' feelings, emotions, behaviors, and decisions in real-time.


Prediction Of Local Quality Of Protein Structure Models Considering Spatial Neighbors In Graphical Models., Woong Hee Shin, Xuejiao Kang, Jian Zhang, Daisuke Kihara Jan 2017

Prediction Of Local Quality Of Protein Structure Models Considering Spatial Neighbors In Graphical Models., Woong Hee Shin, Xuejiao Kang, Jian Zhang, Daisuke Kihara

Department of Biological Sciences Faculty Publications

Protein tertiary structure prediction methods have matured in recent years. However, some proteins defy accurate prediction due to factors such as inadequate template structures. While existing model quality assessment methods predict global model quality relatively well, there is substantial room for improvement in local quality assessment, i.e. assessment of the error at each residue position in a model. Local quality is a very important information for practical applications of structure models such as interpreting/designing site-directed mutagenesis of proteins. We have developed a novel local quality assessment method for protein tertiary structure models. The method, named Graph-based Model Quality assessment method …


Simulating Foodborne Pathogens In Poultry Production And Processing To Defend Against Intentional Contamination, S. Lankford, D. R. Thompson, S. C. Ricke Jan 2017

Simulating Foodborne Pathogens In Poultry Production And Processing To Defend Against Intentional Contamination, S. Lankford, D. R. Thompson, S. C. Ricke

Journal of the Arkansas Academy of Science

There is a lack of data in recent history of food terrorism attacks, and as such, it is difficult to predict its impact. The food supply industry is one of the most vulnerable industries for terrorist threats while the poultry industry is one of the largest food industries in the United States. A small food terrorism attack against a single poultry processing center has the potential to affect a much larger human population than its immediate consumers. In this work, the spread of foodborne pathogens is simulated in a poultry production and processing system to defend against intentional contamination. An …


Classification Of Basal Cell Carcinoma Using Telangiectatic Vessels And Machine Learning, Hemanth Yadav Aradhyula Jan 2017

Classification Of Basal Cell Carcinoma Using Telangiectatic Vessels And Machine Learning, Hemanth Yadav Aradhyula

Masters Theses

“Basal cell carcinoma (BCC) is one of the most common types of skin cancer in the United States. Early detection of BCC by noninvasive techniques can decrease delay in treatment and save cost. A recent study estimated that 5.4 million cases of non-melanocytic skin cancer (NMSC) occur each year in the US. BCC accounts for 50% of NMSC cases. Telangiectasia, which appears in most BCCs is an important feature for identification of BCC for an automatic diagnostic system. In this thesis, three methods for detection of telangiectasia present in dermoscopy lesion image (DI) were proposed. Detected telangiectasia in DI was …


End-To-End Molecular Communication Channels In Cell Metabolism: An Information Theoretic Study, Zahmeeth Sayed Sakkaff, Jennie L. Catlett, Mikaela Cashman, Massimiliano Pierobon, Nicole R. Buan, Myra B. Cohen, Christine A. Kelley Jan 2017

End-To-End Molecular Communication Channels In Cell Metabolism: An Information Theoretic Study, Zahmeeth Sayed Sakkaff, Jennie L. Catlett, Mikaela Cashman, Massimiliano Pierobon, Nicole R. Buan, Myra B. Cohen, Christine A. Kelley

Department of Biochemistry: Faculty Publications

The opportunity to control and fine-tune the behavior of biological cells is a fascinating possibility for many diverse disciplines, ranging from medicine and ecology, to chemical industry and space exploration. While synthetic biology is providing novel tools to reprogram cell behavior from their genetic code, many challenges need to be solved before it can become a true engineering discipline, such as reliability, safety assurance, reproducibility and stability. This paper aims to understand the limits in the controllability of the behavior of a natural (non-engineered) biological cell. In particular, the focus is on cell metabolism, and its natural regulation mechanisms, and …


Fourth-Generation Fan Assessment Numeration System (Fans) Design And Performance Specifications, Michael P. Sama, George B. Day, Laura M. Pepple, Richard S. Gates Jan 2017

Fourth-Generation Fan Assessment Numeration System (Fans) Design And Performance Specifications, Michael P. Sama, George B. Day, Laura M. Pepple, Richard S. Gates

Biosystems and Agricultural Engineering Faculty Publications

The Fan Assessment Numeration System (FANS) is a measurement device for generating ventilation fan performance curves. Three different-sized FANS currently exist for assessing ventilation fans commonly used in poultry and livestock housing systems. All FANS consist of an array of anemometers inside an aluminum shroud that traverse the inlet or outlet of a ventilation fan. The FANS design has been updated several times since its inception and is currently in its fourth-generation (G4). The current design iteration (FANS-G4) is reported in this article with an emphasis on the hardware and software control, data acquisition systems, and operational reliability. Six FANS-G4 …


Novel Neuroevolution Techniques For The Life Science Domain, Timothy Manning Jan 2017

Novel Neuroevolution Techniques For The Life Science Domain, Timothy Manning

Theses

The life science domain is a high value research area, both in terms of the benefits in increased knowledge and in societal impact. Much of the research funding has focused on wet lab based approaches to increase visibility into biological processes and producing maximal relevant information on which to make decisions. Given the complexity of biological functions, in many cases this has led to an information overload. Researchers are now able to routinely generate and access petabytes of data as a result of high throughput experiments, and this capability is growing. This data can be difficult to interpret and intractable …


Biosimp: Using Software Testing Techniques For Sampling And Inference In Biological Organisms, Mikaela Cashman, Jennie L. Catlett, Myra B. Cohen, Nicole R. Buan, Zahmeeth Sakkaff, Massimiliano Pierobon, Christine A. Kelley Jan 2017

Biosimp: Using Software Testing Techniques For Sampling And Inference In Biological Organisms, Mikaela Cashman, Jennie L. Catlett, Myra B. Cohen, Nicole R. Buan, Zahmeeth Sakkaff, Massimiliano Pierobon, Christine A. Kelley

School of Computing: Conference and Workshop Papers

Years of research in software engineering have given us novel ways to reason about, test, and predict the behavior of complex software systems that contain hundreds of thousands of lines of code. Many of these techniques have been inspired by nature such as genetic algorithms, swarm intelligence, and ant colony optimization. In this paper we reverse the direction and present BioSIMP, a process that models and predicts the behavior of biological organisms to aid in the emerging field of systems biology. It utilizes techniques from testing and modeling of highly-configurable software systems. Using both experimental and simulation data we show …


Horizontal And Vertical Integration Of Bio-Molecular Data, Tin Chi Nguyen Jan 2017

Horizontal And Vertical Integration Of Bio-Molecular Data, Tin Chi Nguyen

Wayne State University Dissertations

Modern biomedical research lies at the crossroads of data gathering, interpretation, and hypothesis testing. Due to noise, study bias, or too small changes in biological signals between disease and healthy, individual studies often fail to identify the true phenomenon. Data integration is the key to obtaining the power needed to pinpoint the biological mechanisms of disease states. Given this, we tried to make important contributions in both horizontal and vertical integration of high-throughput data; the former is meta-analysis of independent studies, while the latter is the integration of multi-omics data.

For horizontal meta-analysis, we developed two frameworks: DANUBE and the …


Network Analytics For The Mirna Regulome And Mirna-Disease Interactions, Joseph Jayakar Nalluri Jan 2017

Network Analytics For The Mirna Regulome And Mirna-Disease Interactions, Joseph Jayakar Nalluri

Theses and Dissertations

miRNAs are non-coding RNAs of approx. 22 nucleotides in length that inhibit gene expression at the post-transcriptional level. By virtue of this gene regulation mechanism, miRNAs play a critical role in several biological processes and patho-physiological conditions, including cancers. miRNA behavior is a result of a multi-level complex interaction network involving miRNA-mRNA, TF-miRNA-gene, and miRNA-chemical interactions; hence the precise patterns through which a miRNA regulates a certain disease(s) are still elusive. Herein, I have developed an integrative genomics methods/pipeline to (i) build a miRNA regulomics and data analytics repository, (ii) create/model these interactions into networks and use optimization techniques, motif …


Modeling Beta-Traces For Beta-Barrels From Cryo-Em Density Maps, Dong Si, Jing He Jan 2017

Modeling Beta-Traces For Beta-Barrels From Cryo-Em Density Maps, Dong Si, Jing He

Computer Science Faculty Publications

Cryo-electron microscopy (cryo-EM) has produced density maps of various resolutions. Although ά-helices can be detected from density maps at 5-8 angstrom resolutions, β-strands are challenging to detect at such density maps due to close-spacing of β-strands. The variety of shapes of β-sheets adds the complexity of β-strands detection from density maps. We propose a new approach to model traces of β-strands for β-barrel density regions that are extracted from cryo-EM density maps. In the test containing eight β-barrels extracted from experimental cryo-EM density maps at 5.5 angstrom-8.25 angstrom resolution, StrandRoller detected about 74.26% of the amino acids in the β-strands …


An Effective Computational Method Incorporating Multiple Secondary Structure Predictions In Topology Determination For Cryo-Em Images, Abhishek Biswas, Desh Ranjan, Mohammad Zubair, Stephanie Zeil, Kamal Al Nasr, Jing He Jan 2017

An Effective Computational Method Incorporating Multiple Secondary Structure Predictions In Topology Determination For Cryo-Em Images, Abhishek Biswas, Desh Ranjan, Mohammad Zubair, Stephanie Zeil, Kamal Al Nasr, Jing He

Computer Science Faculty Publications

A key idea in de novo modeling of a medium-resolution density image obtained from cryo-electron microscopy is to compute the optimal mapping between the secondary structure traces observed in the density image and those predicted on the protein sequence. When secondary structures are not determined precisely, either from the image or from the amino acid sequence of the protein, the computational problem becomes more complex. We present an efficient method that addresses the secondary structure placement problem in presence of multiple secondary structure predictions and computes the optimal mapping. We tested the method using 12 simulated images from alpha-proteins and …


Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He Jan 2017

Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He

Computer Science Faculty Publications

Three-dimensional density maps of biological specimens from cryo-electron microscopy (cryo-EM) can be interpreted in the form of atomic models that are modeled into the density, or they can be compared to known atomic structures. When the central axis of a helix is detectable in a cryo-EM density map, it is possible to quantify the agreement between this central axis and a central axis calculated from the atomic model or structure. We propose a novel arc-length association method to compare the two axes reliably. This method was applied to 79 helices in simulated density maps and six case studies using cryo-EM …


A Framework For The Statistical Analysis Of Mass Spectrometry Imaging Experiments, Kyle Bemis Dec 2016

A Framework For The Statistical Analysis Of Mass Spectrometry Imaging Experiments, Kyle Bemis

Open Access Dissertations

Mass spectrometry (MS) imaging is a powerful investigation technique for a wide range of biological applications such as molecular histology of tissue, whole body sections, and bacterial films , and biomedical applications such as cancer diagnosis. MS imaging visualizes the spatial distribution of molecular ions in a sample by repeatedly collecting mass spectra across its surface, resulting in complex, high-dimensional imaging datasets. Two of the primary goals of statistical analysis of MS imaging experiments are classification (for supervised experiments), i.e. assigning pixels to pre-defined classes based on their spectral profiles, and segmentation (for unsupervised experiments), i.e. assigning pixels to newly …


Preliminary Investigation Of Walking Motion Using A Combination Of Image And Signal Processing, Bradley Schneider, Tanvi Banerjee Dec 2016

Preliminary Investigation Of Walking Motion Using A Combination Of Image And Signal Processing, Bradley Schneider, Tanvi Banerjee

Kno.e.sis Publications

We present the results of analyzing gait motion in first-person video taken from a commercially available wearable camera embedded in a pair of glasses. The video is analyzed with three different computer vision methods to extract motion vectors from different gait sequences from four individuals for comparison against a manually annotated ground truth dataset. Using a combination of signal processing and computer vision techniques, gait features are extracted to identify the walking pace of the individual wearing the camera as well as validated using the ground truth dataset. Our preliminary results indicate that the extraction of activity from the video …


Network Inference Driven Drug Discovery, Gergely Zahoránszky-Kőhalmi, Tudor I. Oprea, Cristian G. Bologa, Subramani Mani, Oleg Ursu Nov 2016

Network Inference Driven Drug Discovery, Gergely Zahoránszky-Kőhalmi, Tudor I. Oprea, Cristian G. Bologa, Subramani Mani, Oleg Ursu

Biomedical Sciences ETDs

The application of rational drug design principles in the era of network-pharmacology requires the investigation of drug-target and target-target interactions in order to design new drugs. The presented research was aimed at developing novel computational methods that enable the efficient analysis of complex biomedical data and to promote the hypothesis generation in the context of translational research. The three chapters of the Dissertation relate to various segments of drug discovery and development process.

The first chapter introduces the integrated predictive drug discovery platform „SmartGraph”. The novel collaborative-filtering based algorithm „Target Based Recommender (TBR)” was developed in the framework of this …


Towards Deeper Understanding In Neuroimaging, Rex Devon Hjelm Nov 2016

Towards Deeper Understanding In Neuroimaging, Rex Devon Hjelm

Computer Science ETDs

Neuroimaging is a growing domain of research, with advances in machine learning having tremendous potential to expand understanding in neuroscience and improve public health. Deep neural networks have recently and rapidly achieved historic success in numerous domains, and as a consequence have completely redefined the landscape of automated learners, giving promise of significant advances in numerous domains of research. Despite recent advances and advantages over traditional machine learning methods, deep neural networks have yet to have permeated significantly into neuroscience studies, particularly as a tool for discovery. This dissertation presents well-established and novel tools for unsupervised learning which aid in …