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The recent general availability of low-cost virtual reality headsets, and accompanying 3D engine support, presents an opportunity to bring the concept of chemical space into virtual environments. While virtual reality applications represent a category of widespread tools in other fields, their use in the visualization and exploration of abstract data such as chemical spaces has been experimental. In our previous work we established the concept of interactive 2D maps of chemical spaces, followed by interactive web-based 3D visualizations, culminating in the interactive web-based 3D visualization of extremely large chemical spaces. Virtual reality chemical spaces are a natural extension of these concepts. As 2D and 3D embeddings, and projections of high-dimensional chemical fingerprint spaces were shown to be valuable tools in chemical space visualization and exploration, existing pipelines of data mining and preparation can be extended to be used in virtual reality applications. Here we present an application based on the Unity engine and the virtual reality toolkit (VRTK), allowing for the interactive exploration of chemical space populated by Drugbank compounds in virtual reality. The source code of the application as well as the most recent build are available on GitHub (https://github.com/reymond-group/virtual-reality-map).
This article was published in the following journal.
Name: Journal of chemical information and modeling
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Treatment technique in a virtual environment which allows the participant to experience a sense of presence in an immersive, computer-generated, three-dimensional, interactive environment that minimizes avoidance behavior and facilitates emotional involvement. (from Curr Psychiatry Rep (2010) 12:298)
Using computer technology to create and maintain an environment and project a user's physical presence in that environment allowing the user to interact with it.
The system of all phenomena in space and time; the totality of physical reality. It is both a scientific and philosophic concept appearing in all historic eras. (Webster 2d; Dr. James H. Cassedy, NLM History of Medicine Division)
Common treatment method used in pediatric dentistry that involves the use of fixed or removable space maintainers in order to keep the space left by a baby tooth safe in the event it is lost early. Space maintainers also help permanent teeth to grow safely.
An environment simulating one or more parameters of the space environment, applied in testing space systems or components. Often, a closed chamber is used, capable of approximating the vacuum and normal environments of space. (From NASA Thesaurus, 1988) This also includes simulated EXTRAVEHICULAR ACTIVITY studies in atmosphere exposure chambers or water tanks.