3D Visualization of Molecules from Structural Formulas: An Interactive Approach
Resumo
This work presents the development of a system whose main objective is to convert two-dimensional (2D) representations of chemical molecules into interactive three-dimensional (3D) models. The aim is to enhance the understanding of molecular structures through a more intuitive and dynamic visualization. The system allows users to either capture a photo of a hand-drawn 2D molecule or draw a molecule directly on the screen of a mobile device. The input image is processed to generate a 3D model that can be manipulated and examined from different angles, facilitating the analysis of molecular geometries. This approach not only bridges the gap between traditional 2D chemical diagrams and modern 3D visualization but also provides a valuable educational tool for chemistry students and professionals. Our ongoing work aims to further improve the user interface and enhance the accuracy of 3D rendering to support a broader range of molecular structures.
Palavras-chave:
3D molecular visualization, Chemical education, Hand-Drawn Molecules
Referências
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Alba Fombona-Pascual, Javier Fombona, and Esteban Vázquez-Cano. 2022. VR in Chemistry: A Review of Scientific Research on Advanced Atomic/Molecular Visualization. Chemistry Education Research and Practice 23, 2 (2022), 300–312.
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K. S. Taber. 2011. Progressing Science Education: Constructing the Scientific Research Programme into the Contingent Nature of Learning Science. Springer, Dordrecht.
Jayaram K. Udupa. 1999. Three-Dimensional Visualization and Analysis Methodologies: A Current Perspective. Radiographics 19, 3 (1999), 783–806.
Y. Zhang et al. 2020. Enhanced Molecular Visualization for Chemistry Education Using Virtual Reality. Journal of Chemical Education (2020). DOI: 10.1021/acs.jchemed.0c00757.
Derek Behmke, David Kerven, Robert Lutz, Julia Paredes, Richard Pennington, Evelyn Brannock, Michael Deiters, John Rose, and Kevin Stevens. 2018. Augmented Reality Chemistry: Transforming 2-D Molecular Representations into Interactive 3-D Structures. In Proceedings of the Interdisciplinary STEM Teaching and Learning Conference (2017-2019), Vol. 2. 5–11.
Brasil. 2018. Base Nacional Comum Curricular.
Su Cai, Xu Wang, and Feng-Kuang Chiang. 2014. A Case Study of Augmented Reality Simulation System Application in a Chemistry Course. Computers in Human Behavior 37 (2014), 31–40.
António C. Coelho, J. Miguel Leitão, and F. Nunes Ferreira. 1998. Síntese de Som 3D em Ambientes de Realidade Virtual–Aplicação a Simuladores de Condução. In Proceedings of the 8º Encontro Português de Computação Gráfica.
Sayed Abdul Aziz Ahmady Falah and Rohulla Fajr2 Sayed Ali Aqa. 2024. Effects of Virtual and Augmented Reality in Chemistry Education: Systematic Literature Review. Technology 7, 1 (2024).
Alba Fombona-Pascual, Javier Fombona, and Rubén Vicente. 2022. Augmented Reality, A Review of a Way to Represent and Manipulate 3D Chemical Structures. Journal of Chemical Information and Modeling 62, 8 (2022), 1863–1872.
Alba Fombona-Pascual, Javier Fombona, and Esteban Vázquez-Cano. 2022. VR in Chemistry: A Review of Scientific Research on Advanced Atomic/Molecular Visualization. Chemistry Education Research and Practice 23, 2 (2022), 300–312.
Huei-Tse Hou and Ying-Chen Lin. 2017. The Development and Evaluation of an Educational Game Integrated with Augmented Reality and Virtual Laboratory for Chemistry Experiment Learning. In 2017 6th IIAI International Congress on Advanced Applied Informatics (IIAI-AAI). IEEE, 1005–1006.
Elliot Hu-Au and Joey J. Lee. 2017. Virtual Reality in Education: A Tool for Learning in the Experience Age. International Journal of Innovation in Education 4, 4 (2017), 215–226.
Zulma A. Jiménez. 2019. Teaching and Learning Chemistry via Augmented and Immersive Virtual Reality. In Technology Integration in Chemistry Education and Research (TICER). ACS Publications, 31–52.
Sam Kavanagh, Andrew Luxton-Reilly, Burkhard Wuensche, and Beryl Plimmer. 2017. A Systematic Review of Virtual Reality in Education. Themes in Science and Technology Education 10, 2 (2017), 85–119.
Jaziar Radianti, Tim A. Majchrzak, Jennifer Fromm, and Isabell Wohlgenannt. 2020. A Systematic Review of Immersive Virtual Reality Applications for Higher Education: Design Elements, Lessons Learned, and Research Agenda. Computers & Education 147 (2020), 103778.
K. S. Taber. 2011. Progressing Science Education: Constructing the Scientific Research Programme into the Contingent Nature of Learning Science. Springer, Dordrecht.
Jayaram K. Udupa. 1999. Three-Dimensional Visualization and Analysis Methodologies: A Current Perspective. Radiographics 19, 3 (1999), 783–806.
Y. Zhang et al. 2020. Enhanced Molecular Visualization for Chemistry Education Using Virtual Reality. Journal of Chemical Education (2020). DOI: 10.1021/acs.jchemed.0c00757.
Publicado
30/09/2024
Como Citar
AMORIM, Eduardo; VALDO, Ana; SOARES, Fabrizzio; FELIX, Juliana; CARDOSO, Luciana; ARANHA, Renan Vinicius; NASCIMENTO, Thamer Horbylon.
3D Visualization of Molecules from Structural Formulas: An Interactive Approach. In: SIMPÓSIO DE REALIDADE VIRTUAL E AUMENTADA (SVR), 26. , 2024, Manaus/AM.
Anais [...].
Porto Alegre: Sociedade Brasileira de Computação,
2024
.
p. 242-246.
