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Art driven by visual representations of chemical space
Daniela Gaytán-Hernández1, Ana L Chávez-Hernández1, Edgar López-López1,2
1DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico.
Journal of Cheminformatics
|October 21, 2023
Summary
This study merges chemoinformatics and art by visualizing chemical space as digital art. These visualizations share chemical knowledge and serve as educational tools for cheminformatics.
Area of Science:
- Interdisciplinary science bridging chemistry, computer science, and art.
- Focus on chemoinformatics and computational chemistry applications.
Background:
- Chemoinformatics utilizes the concept of chemical space to represent chemical structures.
- Visualizing chemical space aids in pattern identification within compound datasets.
Purpose of the Study:
- To explore the intersection of art and chemoinformatics.
- To present chemical space visualization as a novel artistic medium.
- To create visually appealing graphs with dual benefits of knowledge sharing and artistic expression.
Main Methods:
- Developing an approach to merge art with chemoinformatics.
- Utilizing visual representations of chemical space for artistic creation.
- Case studies involving food chemicals and other compounds.
Main Results:
- Generated visually appealing graphs from chemical space data.
- Demonstrated the potential of chemical space visualizations as art.
- Provided freely available code and datasets for reproducibility.
Conclusions:
- Chemical space visualization offers a unique concept for creating digital art.
- This approach serves as an effective tool for educating and introducing students to chemoinformatics.
- The integration of art and chemistry promotes broader dissemination of scientific knowledge.
Keywords:
ArtworkChemical multiverseChemical spaceChemoinformaticsData visualizationEducationFood chemistryFoodinformaticsMolecular representationOpen scienceMore Related Videos
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