Abstract:Adverse reactions caused by drug‐drug interactions are a major public health concern. Currently, adverse reaction signals are detected through a tedious manual process in which drug safety analysts review a large number of reports collected through post‐marketing drug surveillance. While computational techniques in support of this signal analysis are necessary, alone they are not sufficient. In particular, when machine learning techniques are applied to extract candidate signals from reports, the resulting set… Show more
“…Approaches that use networks leverage interactive visualizations that support exploratory workflows. Kakar et al [KQR * 19] claim that networks tend to show association relationships better. They created a visual analytics system, DIVA, to analyze candidate drug interaction signals via coordinated views of force‐directed graphs and tree views.…”
Exploratory analysis of the chemical space is an important task in the field of cheminformatics. For example, in drug discovery research, chemists investigate sets of thousands of chemical compounds in order to identify novel yet structurally similar synthetic compounds to replace natural products. Manually exploring the chemical space inhabited by all possible molecules and chemical compounds is impractical, and therefore presents a challenge. To fill this gap, we present ChemoGraph, a novel visual analytics technique for interactively exploring related chemicals. In ChemoGraph, we formalize a chemical space as a hypergraph and apply novel machine learning models to compute related chemical compounds. It uses a database to find related compounds from a known space and a machine learning model to generate new ones, which helps enlarge the known space. Moreover, ChemoGraph highlights interactive features that support users in viewing, comparing, and organizing computationally identified related chemicals. With a drug discovery usage scenario and initial expert feedback from a case study, we demonstrate the usefulness of ChemoGraph.
“…Approaches that use networks leverage interactive visualizations that support exploratory workflows. Kakar et al [KQR * 19] claim that networks tend to show association relationships better. They created a visual analytics system, DIVA, to analyze candidate drug interaction signals via coordinated views of force‐directed graphs and tree views.…”
Exploratory analysis of the chemical space is an important task in the field of cheminformatics. For example, in drug discovery research, chemists investigate sets of thousands of chemical compounds in order to identify novel yet structurally similar synthetic compounds to replace natural products. Manually exploring the chemical space inhabited by all possible molecules and chemical compounds is impractical, and therefore presents a challenge. To fill this gap, we present ChemoGraph, a novel visual analytics technique for interactively exploring related chemicals. In ChemoGraph, we formalize a chemical space as a hypergraph and apply novel machine learning models to compute related chemical compounds. It uses a database to find related compounds from a known space and a machine learning model to generate new ones, which helps enlarge the known space. Moreover, ChemoGraph highlights interactive features that support users in viewing, comparing, and organizing computationally identified related chemicals. With a drug discovery usage scenario and initial expert feedback from a case study, we demonstrate the usefulness of ChemoGraph.
“…Hovering one part of a visualization can highlight other parts in the same visualization, for example connected ribbons and sets in parallel sets (e.g., Abdullah et al, 2020), neighbors in a network (Brunker et al, 2019;L'Yi et al, 2017), or other features from the hovered data point (Cao et al, 2011;Gotz et al, 2011, Figure 4a). Hovering can also highlight related entities across multiple visualizations (e.g., Kakar et al, 2019;Kumar et al, 2015).…”
Section: Interaction In Visual Analyticsmentioning
confidence: 99%
“…Select interactions mark data items, either manually through brushing (e.g., S. Guo et al, 2018), lasso selection (e.g., Kwon et al, 2019;Raidou, Kuijf, et al, 2016;Figure 3e), clicking on a legend (R. Guo et al, 2020), or pinning (Dingen et al, 2019;Kakar et al, 2019); or automatically based on a chosen metric (e.g., Stolper et al, 2014). Selected data are typically colored prominently to easily focus on them.…”
Section: Interaction In Visual Analyticsmentioning
To make predictions and explore large datasets, healthcare is increasingly applying advanced algorithms of artificial intelligence. However, to make wellconsidered and trustworthy decisions, healthcare professionals require ways to gain insights in these algorithms' outputs. One approach is visual analytics, which integrates humans in decision-making through visualizations that facilitate interaction with algorithms. Although many visual analytics systems have been developed for healthcare, a clear overview of their explanation techniques is lacking. Therefore, we review 71 visual analytics systems for healthcare, and analyze how they explain advanced algorithms through visualization, interaction, shepherding, and direct explanation. Based on our analysis, we outline research opportunities and challenges to further guide the exciting rapprochement of visual analytics and healthcare.
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