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“ChemoGraph: Interactive Visual Exploration of the Chemical Space” Awarded with Honorable Mention in the EuroVis Best Paper Category
Participants: Michael E. Papka
URL: https://youtu.be/kVpz6TDjQMw EVL professor Mike Papka and his research students have been awarded an Honorable Mention in the EuroVis Best Paper Category for “ChemoGraph: Interactive Visual Exploration of the Chemical Space”. Co-authored by collaborators Bharat Kale, Austin Clyde, Maoyuan Sun, Arvind Ramanathan, Rick Stevens, and Michael E. Papka, ChemoGraph is a novel visual analytics technique for interactively exploring related chemicals. A chemical space is formalized as a hypergraph with novel machine-learning models to compute related chemical compounds applied. It uses a database to find related compounds from an available 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. See a video teaser on EVLTube. Date: June 30, 2023 |
