Basic concepts and tools of artificial intelligence in polymer science
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Abstract
AI-driven polymer science: a structured perspective on integrating machine learning for data analysis, property prediction, and automated research workflows.
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Cites
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764 · see citing works
Interpreting Black-Box Models: A Review on Explainable Artificial Intelligence
Hassija, V., Chamola, V., Mahapatra, A., Singal, A., Goel, D., Huang, K., Scardapane, S., Spinelli, I., Mahmud, M., & Hussain, A. (2024) · Cognitive Computation · doi:10.1007/s12559-023-10179-8 · Cited by 2,062 · see citing works
Machine learning in materials informatics: recent applications and prospects
Ramprasad, R., Batra, R., Pilania, G., Mannodi-Kanakkithodi, A., & Kim, C. (2017) · npj Computational Materials · doi:10.1038/s41524-017-0056-5 · Cited by 1,945 · see citing works
Self-Driving Laboratories for Chemistry and Materials Science
Tom, G., Schmid, S. P., Baird, S. G., Cao, Y., Darvish, K., Hao, H., Lo, S., Pablo-García, S., Rajaonson, E. M., Skreta, M., et al. (2024) · Chemical Reviews · doi:10.1021/acs.chemrev.4c00055 · Cited by 707 · see citing works
Reinforcement learning, fast and slow
Botvinick, M., Ritter, S., Wang, J. X., Kurth-Nelson, Z., Blundell, C., & Hassabis, D. (2019) · Trends in Cognitive Sciences · doi:10.1016/j.tics.2019.02.006 · Cited by 667 · see citing works
Machine learning approaches for analyzing and enhancing molecular dynamics simulations
Wang, Y., Lamim Ribeiro, J. M., & Tiwary, P. (2020) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2019.12.016 · Cited by 303 · see citing works
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- Authors
- Ferji, K.
- Affiliations
- Centre National de la Recherche Scientifique (FR)
- Corresponding author
- Ferji, Khalid
- ORCID
- Ferji, Khalid
- Venue
- Polymer Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2025
- Volume
- 16
- Issue
- 21
- Pages
- 2457-2470
- ISSN
- 1759-9954 (ISSN-L)
- 1759-9962
- OpenAlex
- W4409900107
- Cited by
- 40
- References
- 6
- Citations by year
- 2026: 30 · 2025: 10
- FWCI
- 8.48
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Polymer Chemistry (publishedVersion, cc-by-nc)
- ChemRxiv (acceptedVersion, cc-by-nc)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Physical Sciences › Computer Science › Artificial Intelligence › Artificial Intelligence Applications
- Keywords
- artificial intelligence, machine learning, polymer science, property prediction, data analysis
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