15-16 Jan 2026 University of Fribourg, Miséricorde (Switzerland)
Open-Source Tools for Easy Generation of 3D Molecular Structures from SMILES Notation: Evaluating Usability and Adoption for Augmented Reality in Chemistry Education
Frieder Loch  1@  , Johannes Huwer  2, 3@  , Lars-Jochen Thoms  2, 3@  
1 : University of Applied Sciences of Eastern Switzerland = Ostschweizer Fachhochschule  (OST)  -  Website
2 : Thurgau University of Teacher Education  (PHTG)
3 : University of Konstanz  -  Website
78457 Konstanz -  Germany

Augmented Reality (AR) has the potential to transform chemistry education by enabling students to explore molecular structures in interactive and immersive ways. Yet the widespread use of AR in classrooms is often limited by the complexity of creating accurate digital molecular models. This contribution presents two open-source tools developed within the OrChemSTAR project that automate the generation of 3D molecular structures from SMILES strings: a web-based molecule generator and a Blender plugin. The web application provides an intuitive and installation-free solution that allows educators and learners to quickly create and export molecular models in various representations, including formats compatible with AR. The Blender plugin supports advanced customization and batch processing, enabling the preparation of consistent molecular sets for teaching materials and animations. Both tools were evaluated using the Technology Acceptance Model (TAM). A first qualitative study (n = 11) highlighted the simplicity and efficiency of the web generator, while the Blender plugin offered flexibility but required greater expertise. A second quantitative study (n = 67) confirmed high ratings for perceived ease of use and usefulness of the online generator across different user groups, though school teachers were more hesitant about the reliance on SMILES notation. Findings underline the complementary roles of the two tools: the web generator lowers the entry barrier for everyday classroom use, while the Blender plugin addresses specialized needs in higher education and research. Future work will focus on integrating graphical molecule builders, simplifying the Blender workflow, and broadening accessibility, for instance by linking with learning management systems or creating tactile models for visually impaired students. Together, these tools pave the way for broader adoption of AR-enhanced chemistry education by making 3D molecular modeling more accessible, efficient, and inclusive.


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