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We present a method for the layout of anatomical structures and blood vessels based on information from the Foundational Model of Anatomy (FMA). Our approach integrates a novel vascular layout into the hierarchical treemap representation of anatomy as used in ApiNATOMY. Our method aims to improve the comprehension of complex anatomical and vascular data by providing readable visual representations. The effectiveness of our method is demonstrated through a prototype developed in VANTED, showing potential for application in research, education, and clinical settings.

Animal behaviour is often modelled as networks, where, for example, the nodes are individuals of a group and the edges represent behaviour within this group. Different types of behaviours or behavioural categories are then modelled as different yet connected networks which form a multilayer network. Recent developments show the potential and benefit of multilayer networks for animal behaviour research as well as the potential benefit of stereoscopic 3D immersive environments for the interactive visualisation, exploration and analysis of animal behaviour multilayer networks. However, so far animal behaviour research is mainly supported by libraries or software on 2D desktops. Here, we explore the domain-specific requirements for (stereoscopic) 3D environments. Based on those requirements, we provide a proof of concept to visualise, explore and analyse animal behaviour multilayer networks in immersive environments.

Biomolecular networks, including genome-scale metabolic models (GSMMs), assemble the knowledge regarding the biological processes that happen inside specific organisms in a way that allows for analysis, simulation, and exploration. With the increasing availability of genome annotations and the development of powerful reconstruction tools, biomolecular networks continue to grow ever larger. While visual exploration can facilitate the understanding of such networks, the network sizes represent a major challenge for current visualisation systems. Building on promising results from the area of immersive analytics, which among others deals with the potential of immersive visualisation for data analysis, we present a concept for a hybrid user interface that combines a classical desktop environment with a virtual reality environment for the visual exploration of large biomolecular networks and corresponding data. We present system requirements and design considerations, describe a resulting concept, an envisioned technical realisation, and a systems biology usage scenario. Finally, we discuss remaining challenges.

Biological networks can be large and complex, often consisting of different sub-networks or parts. Separation of networks into parts, network partitioning and layouts of overview and sub-graphs are of importance for understandable visualisations of those networks. This article presents NetPartVis to visualise non-overlapping clusters or partitions of graphs in the Vanted framework based on a method for laying out overview graph and several sub-graphs (partitions) in a coordinated, mental-map preserving way.

Proteins and their interactions are essential for the functioning of all organisms and for understanding biological processes. Alternative splicing is an important molecular mechanism for increasing the protein diversity in eukaryotic cells. Splicing events that alter the protein structure and the domain composition can be responsible for the regulation of protein interactions and the functional diversity of different tissues. Discovering the occurrence of splicing events and studying protein isoforms have become feasible using Affymetrix Exon Arrays. Therefore, we have developed the versatile Cytoscape plugin DomainGraph that allows for the visual analysis of protein domain interaction networks and their integration with exon expression data. Protein domains affected by alternative splicing are highlighted and splicing patterns can be compared.

Data in behavioral research is often quantified with event-logging software, generating large data sets containing detailed information about subjects, recipients, and the duration of behaviors. Exploring and analyzing such large data sets can be challenging without tools to visualize behavioral interactions between individuals or transitions between behavioral states, yet software that can adequately visualize complex behavioral data sets is rare. TIBA (The Interactive Behavior Analyzer) is a web application for behavioral data visualization, which provides a series of interactive visualizations, including the temporal occurrences of behavioral events, the number and direction of interactions between individuals, the behavioral transitions and their respective transitional frequencies, as well as the visual and algorithmic comparison of the latter across data sets. It can therefore be applied to visualize behavior across individuals, species, or contexts. Several filtering options (selection of behaviors and individuals) together with options to set node and edge properties (in the network drawings) allow for interactive customization of the output drawings, which can also be downloaded afterwards. TIBA accepts data outputs from popular logging software and is implemented in Python and JavaScript, with all current browsers supported. The web application and usage instructions are available at tiba.inf.uni-konstanz.de. The source code is publicly available on GitHub: github.com/LSI-UniKonstanz/tiba. [ABSTRACT FROM AUTHOR]

Motivation High-throughput omics methods increasingly result in large datasets including metabolomics data, which are often difficult to analyse. Results To help researchers to handle and analyse those datasets by mapping and investigating metabolomics data of multiple sampling conditions (e.g. different time points or treatments) in the context of pathways, PathwayNexus has been developed, which presents the mapping results in a matrix format, allowing users to easily observe the relations between the compounds and the pathways. It also offers functionalities like ranking, sorting, clustering, pathway views, and further analytical tools. Its primary objective is to condense large sets of pathways into smaller, more relevant subsets that align with the specific interests of the user. Availability and implementation The methodology presented here is implemented in PathwayNexus , an open-source add-on for Vanted available at www.cls.uni-konstanz.de/software/pathway-nexus. Contact falk.schreiber@unikonstanz.de Supplementary information Website: www.cls.uni-konstanz.de/software/pathway-nexus [ABSTRACT FROM AUTHOR]

Introduction: The COVID-19 Disease Map project is a large-scale community effort uniting 277 scientists from 130 Institutions around the globe. We use high-quality, mechanistic content describing SARS-CoV-2-host interactions and develop interoperable bioinformatic pipelines for novel target identification and drug repurposing. Methods: Extensive community work allowed an impressive step forward in building interfaces between Systems Biology tools and platforms. Our framework can link biomolecules from omics data analysis and computational modelling to dysregulated pathways in a cell-, tissue- or patient-specific manner. Drug repurposing using text mining and AI-assisted analysis identified potential drugs, chemicals and microRNAs that could target the identified key factors. Results: Results revealed drugs already tested for anti-COVID-19 efficacy, providing a mechanistic context for their mode of action, and drugs already in clinical trials for treating other diseases, never tested against COVID-19. Discussion: The key advance is that the proposed framework is versatile and expandable, offering a significant upgrade in the arsenal for virus-host interactions and other complex pathologies. [ABSTRACT FROM AUTHOR]

Networks are an important means for the representation and analysis of data in a variety of research and application areas. While there are many efficient methods to create layouts for networks to support their visual analysis, approaches for the comparison of networks are still underexplored. Especially when it comes to the comparison of weighted networks, which is an important task in several areas, such as biology and biomedicine, there is a lack of efficient visualization approaches. With the availability of affordable high-quality virtual reality (VR) devices, such as head-mounted displays (HMDs), the research field of immersive analytics emerged and showed great potential for using the new technology for visual data exploration. However, the use of immersive technology for the comparison of networks is still underexplored. With this work, we explore how weighted networks can be visually compared in an immersive VR environment and investigate how visual representations can benefit from the extended 3D design space. For this purpose, we develop different encodings for 3D node-link diagrams supporting the visualization of two networks within a single representation and evaluate them in a pilot user study. We incorporate the results into a more extensive user study comparing node-link representations with matrix representations encoding two networks simultaneously. The data and tasks designed for our experiments are similar to those occurring in real-world scenarios. Our evaluation shows significantly better results for the node-link representations, which is contrary to comparable 2D experiments and indicates a high potential for using VR for the visual comparison of networks. [ABSTRACT FROM AUTHOR]

Immersive Analytics is concerned with the systematic examination of the benefits and challenges of using immersive environments for data analysis, and the development of corresponding designs that improve the quality and efficiency of the analysis process. While immersive technologies are now broadly available, practical solutions haven't received broad acceptance in real-world applications outside of several core areas, and proper guidelines on the design of such solutions are still under development. Both fundamental research and applications bring together topics and questions from several fields, and open a wide range of directions regarding underlying theory, evidence from user studies, and practical solutions tailored towards the requirements of application areas. We give an overview on the concepts, topics, research questions, and challenges. [ABSTRACT FROM AUTHOR]

After a long period of scepticism, more and more publications describe basic research but also practical approaches to how abstract data can be presented in immersive environments for effective and efficient data understanding. Central aspects of this important research question in immersive analytics research are concerned with the use of 3D for visualization, the embedding in the immersive space, the combination with spatial data, suitable interaction paradigms and the evaluation of use cases. We provide a characterization that facilitates the comparison and categorization of published works and present a survey of publications that gives an overview of the state of the art, current trends, and gaps and challenges in current research. [ABSTRACT FROM AUTHOR]

Motivation Large metabolic models, including genome-scale metabolic models, are nowadays common in systems biology, biotechnology and pharmacology. They typically contain thousands of metabolites and reactions and therefore methods for their automatic visualization and interactive exploration can facilitate a better understanding of these models. Results We developed a novel method for the visual exploration of large metabolic models and implemented it in LMME (Large Metabolic Model Explorer), an add-on for the biological network analysis tool VANTED. The underlying idea of our method is to analyze a large model as follows. Starting from a decomposition into several subsystems, relationships between these subsystems are identified and an overview is computed and visualized. From this overview, detailed subviews may be constructed and visualized in order to explore subsystems and relationships in greater detail. Decompositions may either be predefined or computed, using built-in or self-implemented methods. Realized as add-on for VANTED, LMME is embedded in a domain-specific environment, allowing for further related analysis at any stage during the exploration. We describe the method, provide a use case and discuss the strengths and weaknesses of different decomposition methods. Availability and implementation The methods and algorithms presented here are implemented in LMME, an open-source add-on for VANTED. LMME can be downloaded from www.cls.uni-konstanz.de/software/lmme and VANTED can be downloaded from www.vanted.org. The source code of LMME is available from GitHub, at https://github.com/LSI-UniKonstanz/lmme. [ABSTRACT FROM AUTHOR]

In recent years, research on immersive environments has experienced a new wave of interest, and immersive analytics has been established as a new research field. Every year, a vast amount of different techniques, applications, and user studies are published that focus on employing immersive environments for visualizing and analyzing data. Nevertheless, immersive analytics is still a relatively unexplored field that needs more basic research in many aspects and is still viewed with skepticism. Rightly so, because in our opinion, many researchers do not fully exploit the possibilities offered by immersive environments and, on the contrary, sometimes even overestimate the power of immersive visualizations. Although a growing body of papers has demonstrated individual advantages of immersive analytics for specific tasks and problems, the general benefit of using immersive environments for effective analytic tasks remains controversial. In this article, we reflect on when and how immersion may be appropriate for the analysis and present four guiding scenarios. We report on our experiences, discuss the landscape of assessment strategies, and point out the directions where we believe immersive visualizations have the greatest potential. [ABSTRACT FROM AUTHOR]

In this paper, we show a polynomial-time algorithm for testing c -planarity of embedded flat clustered graphs with at most two vertices per cluster on each face. Our result is based on a reduction to the planar set of spanning trees in topological multigraphs (pssttm) problem, which is defined as follows. Given a (non-planar) topological multigraph A with k connected components A 1 , ... , A k , do spanning trees of A 1 , ... , A k exist such that no two edges in any two spanning trees cross? Kratochvíl et al. [SIAM Journal on Discrete Mathematics, 4(2): 223–244, 1991] proved that the problem is NP-hard even if k = 1 ; on the other hand, Di Battista and Frati presented a linear-time algorithm to solve the pssttm problem for the case in which A is a 1 -planar topological multigraph [Journal of Graph Algorithms and Applications, 13(3): 349–378, 2009]. For any embedded flat clustered graph C , an instance A of the pssttm problem can be constructed in polynomial time such that C is c -planar if and only if A admits a solution. We show that, if C has at most two vertices per cluster on each face, then it can be tested in polynomial time whether the corresponding instance A of the pssttm problem is positive or negative. Our strategy for solving the pssttm problem on A is to repeatedly perform a sequence of tests, which might let us conclude that A is a negative instance, and simplifications, which might let us simplify A by removing or contracting some edges. Most of these tests and simplifications are performed "locally", by looking at the crossings involving a single edge or face of a connected component A i of A ; however, some tests and simplifications have to consider certain global structures in A , which we call α -donuts. If no test concludes that A is a negative instance of the pssttm problem, then the simplifications eventually transform A into an equivalent 1 -planar topological multigraph on which we can apply the cited linear-time algorithm by Di Battista and Frati. [ABSTRACT FROM AUTHOR]

We propose Graph Thumbnails, small icon-like visualisations of the high-level structure of network data. Graph Thumbnails are designed to be legible in small multiples to support rapid browsing within large graph corpora. Compared to existing graph-visualisation techniques our representation has several advantages: (1) the visualisation can be computed in linear time; (2) it is canonical in the sense that isomorphic graphs will always have identical thumbnails; and (3) it provides precise information about the graph structure. We report the results of two user studies. The first study compares Graph Thumbnails to node-link and matrix views for identifying similar graphs. The second study investigates the comprehensibility of the different representations. We demonstrate the usefulness of this representation for summarising the evolution of protein-protein interaction networks across a range of species. [ABSTRACT FROM AUTHOR]

The (developmental) neurotoxicity hazard is still unknown for most chemicals. Establishing a test battery covering most of the relevant adverse outcome pathways may close this gap without requiring a huge animal experimentation program. Ideally, each of the assays would cover multiple mechanisms of toxicity. One candidate test is the human LUHMES cell-based NeuriTox test. To evaluate its readiness for larger-scale testing, a proof of concept library, assembled by the U.S. National Toxicology Program (NTP), was screened. Out of the 75 unique compounds, seven were defined as specifically neurotoxic after the hit-confirmation phase and ten further compounds were generally cytotoxic within the concentration range of up to 20 µM. As complementary approach, the library was screened in the PeriTox test, which identifies toxicants affecting the human peripheral nervous system. Of the eight PeriTox hits, five were similar to the NeuriTox hits: rotenone, colchicine, diethylstilbestrol, berberine chloride, and valinomycin. The unique NeuriTox hit, methyl-phenylpyridinium (MPP+), is known from in vivo studies to affect only dopaminergic neurons (which LUHMES cells are). Conversely, the known peripheral neurotoxicant acrylamide was picked up in the PeriTox, but not in the NeuriTox assay. All of the five common hits had also been identified in the published neural crest migration (cMINC) assay, while none of them emerged as a cardiotoxicant in a previous screen using the same library. These comparative data suggest that complementary in vitro tests can pick up a broad range of toxicants, and that multiple test results might help to predict organ specificity patterns. [ABSTRACT FROM AUTHOR]

High-quality immersive display technologies are becoming mainstream with the release of head-mounted displays (HMDs) such as the Oculus Rift. These devices potentially represent an affordable alternative to the more traditional, centralised CAVE-style immersive environments. One driver for the development of CAVE-style immersive environments has been collaborative sense-making. Despite this, there has been little research on the effectiveness of collaborative visualisation in CAVE-style facilities, especially with respect to abstract data visualisation tasks. Indeed, very few studies have focused on the use of these displays to explore and analyse abstract data such as networks and there have been no formal user studies investigating collaborative visualisation of abstract data in immersive environments. In this paper we present the results of the first such study. It explores the relative merits of HMD and CAVE-style immersive environments for collaborative analysis of network connectivity, a common and important task involving abstract data. We find significant differences between the two conditions in task completion time and the physical movements of the participants within the space: participants using the HMD were faster while the CAVE2 condition introduced an asymmetry in movement between collaborators. Otherwise, affordances for collaborative data analysis offered by the low-cost HMD condition were not found to be different for accuracy and communication with the CAVE2. These results are notable, given that the latest HMDs will soon be accessible (in terms of cost and potentially ubiquity) to a massive audience. [ABSTRACT FROM PUBLISHER]

Prior research into network layout has focused on fast heuristic techniques for layout of large networks, or complex multi-stage pipelines for higher quality layout of small graphs. Improvements to these pipeline techniques, especially for orthogonal-style layout, are difficult and practical results have been slight in recent years. Yet, as discussed in this paper, there remain significant issues in the quality of the layouts produced by these techniques, even for quite small networks. This is especially true when layout with additional grouping constraints is required. The first contribution of this paper is to investigate an ultra-compact, grid-like network layout aesthetic that is motivated by the grid arrangements that are used almost universally by designers in typographical layout. Since the time when these heuristic and pipeline-based graph-layout methods were conceived, generic technologies (MIP, CP and SAT) for solving combinatorial and mixed-integer optimization problems have improved massively. The second contribution of this paper is to reassess whether these techniques can be used for high-quality layout of small graphs. While they are fast enough for graphs of up to 50 nodes we found these methods do not scale up. Our third contribution is a large-neighborhood search meta-heuristic approach that is scalable to larger networks. [ABSTRACT FROM AUTHOR]

Many graph-drawing methods apply node-clustering techniques based on the density of edges to find tightly connected subgraphs and then hierarchically visualize the clustered graphs. However, users may want to focus on important nodes and their connections to groups of other nodes for some applications. For this purpose, it is effective to separately visualize the key nodes detected based on adjacency and attributes of the nodes. This article presents a graph visualization technique for attribute-embedded graphs that applies a graph-clustering algorithm that accounts for the combination of connections and attributes. The graph clustering step divides the nodes according to the commonality of connected nodes and similarity of feature value vectors. It then calculates the distances between arbitrary pairs of clusters according to the number of connecting edges and the similarity of feature value vectors and finally places the clusters based on the distances. Consequently, the technique separates important nodes that have connections to multiple large clusters and improves the visibility of such nodes' connections. To test this technique, this article presents examples with human relationship graph datasets, including a coauthorship and Twitter communication network dataset. [ABSTRACT FROM PUBLISHER]

Content-based image retrieval (CBIR) is a search technique based on the similarity of visual features and has demonstrated potential benefits for medical diagnosis, education, and research. However, clinical adoption of CBIR is partially hindered by the difference between the computed image similarity and the user's search intent, the semantic gap, with the end result that relevant images with outlier features may not be retrieved. Furthermore, most CBIR algorithms do not provide intuitive explanations as to why the retrieved images were considered similar to the query (e.g., which subset of features were similar), hence, it is difficult for users to verify if relevant images, with a small subset of outlier features, were missed. Users, therefore, resort to examining irrelevant images and there are limited opportunities to discover these “missed” images. In this paper, we propose a new approach to medical CBIR by enabling a guided visual exploration of the search space through a tool, called visual analytics for medical image retrieval (VAMIR). The visual analytics approach facilitates interactive exploration of the entire dataset using the query image as a point-of-reference. We conducted a user study and several case studies to demonstrate the capabilities of VAMIR in the retrieval of computed tomography images and multimodality positron emission tomography and computed tomography images. [ABSTRACT FROM PUBLISHER]

Background: An important aspect of studying the relationship between protein sequence, structure and function is the molecular characterization of the effect of protein mutations. To understand the functional impact of amino acid changes, the multiple biological properties of protein residues have to be considered together. Results: Here, we present a novel visual approach for analyzing residue mutations. It combines different biological visualizations and integrates them with molecular data derived from external resources. To show various aspects of the biological information on different scales, our approach includes one-dimensional sequence views, threedimensional protein structure views and two-dimensional views of residue interaction networks as well as aggregated views. The views are linked tightly and synchronized to reduce the cognitive load of the user when switching between them. In particular, the protein mutations are mapped onto the views together with further functional and structural information. We also assess the impact of individual amino acid changes by the detailed analysis and visualization of the involved residue interactions. We demonstrate the effectiveness of our approach and the developed software on the data provided for the BioVis 2013 data contest. Conclusions: Our visual approach and software greatly facilitate the integrative and interactive analysis of protein mutations based on complementary visualizations. The different data views offered to the user are enriched with information about molecular properties of amino acid residues and further biological knowledge. [ABSTRACT FROM AUTHOR]

The growing interest in chemogenomics approaches over the last years has led to an increasing amount of data regarding chemical and the corresponding biological activity space. The resulting data, collected in either in-house or public databases, need to be analyzed efficiently to speed-up the increasingly difficult task of drug discovery. Unfortunately, the discovery of new chemical entities or new targets for known drugs ('drug repurposing') is not suitable to a fully automated analysis or a simple drill down process. Visual interactive interfaces that allow to explore chemical space in a systematic manner and facilitate analytical reasoning can help to overcome these problems. Scaffold Hunter is a tool for the visual analysis of chemical compound databases that provides integrated visualization and analysis of biological activity data and fosters the interactive exploration of data imported from a variety of sources. We describe the features and illustrate the use by means of an exemplary analysis workflow. [ABSTRACT FROM AUTHOR]

The ICW eHealth Framework (eHF) is a powerful infrastructure and platform for the development of service-oriented solutions in the health care business. It is the culmination of many years of experience of ICW in the development and use of in-house health care solutions and represents the foundation of ICW product developments based on the Java Enterprise Edition (Java EE). The ICW eHealth Framework has been leveraged to allow development by external partners – enabling adopters a straightforward integration into ICW solutions. The ICW eHealth Framework consists of reusable software components, development tools, architectural guidelines and conventions defining a full software-development and product lifecycle. From the perspective of a partner, the framework provides services and infrastructure capabilities for integrating applications within an eHF-based solution. This article introduces the ICW eHealth Framework's basic architectural concepts and technologies. It provides an overview of its module and component model, describes the development platform that supports the complete software development lifecycle of health care applications and outlines technological aspects, mainly focusing on application development frameworks and open standards. [ABSTRACT FROM AUTHOR]

We describe Scaffold Hunter, a highly interactive computer-based tool for navigation in chemical space that fosters intuitive recognition of complex structural relationships associated with bioactivity. The program reads compound structures and bioactivity data, generates compound scaffolds, correlates them in a hierarchical tree-like arrangement, and annotates them with bioactivity. Brachiation along tree branches from structurally complex to simple scaffolds allows identification of new ligand types. We provide proof of concept for pyruvate kinase. [ABSTRACT FROM AUTHOR]

This paper introduces and studies the following beyond-planarity problem, which we call h-Clique2Path Planarity. Let G be a simple topological graph whose vertices are partitioned into subsets of size at most h, each inducing a clique. h-Clique2Path Planarity asks whether it is possible to obtain a planar subgraph of G by removing edges from each clique so that the subgraph induced by each subset is a path. We investigate the complexity of this problem in relation to k-planarity. In particular, we prove that h-Clique2Path Planarity is NP-complete even when h = 4 and G is a simple 3-plane graph, while it can be solved in linear time when G is a simple 1-plane graph, for any value of h. Our results contribute to the growing fields of hybrid planarity and of graph drawing beyond planarity. [ABSTRACT FROM AUTHOR]