Machine learning-driven generation and screening of potential ionic liquids for cellulose dissolution

Machine learning-driven generation and screening of potential ionic liquids for cellulose dissolution

Abstract Cellulose, a highly versatile material, faces challenges in processing due to its limited solubility in common solvents. Ionic liquids have been found to possess high solvating capacities for cellulose. However, the experimental development of ionic liquids with optimal cellulose solubiliti...

Full description

Saved in:
Bibliographic Details
Main Authors: Mengyang Qu, Gyanendra Sharma, Naoki Wada, Hisaki Ikebata, Shigeyuki Matsunami, Kenji Takahashi
Format: Article
Language:English
Published: BMC 2025-05-01
Series:Journal of Cheminformatics
Subjects:
Molecular generation
Ionic liquids
Cellulose
Monte Carlo tree search
Recurrent neural network
High-throughput virtual screening
Online Access:https://doi.org/10.1186/s13321-025-01018-z
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://doi.org/10.1186/s13321-025-01018-z

Similar Items