Predicting efficacy of drug-carrier nanoparticle designs for cancer treatment: a machine learning-based solution
Abstract Molecular Dynamic (MD) simulations are very effective in the discovery of nanomedicines for treating cancer, but these are computationally expensive and time-consuming. Existing studies integrating machine learning (ML) into MD simulation to enhance the process and enable efficient analysis...
Main Authors: | Md Raisul Kibria, Refo Ilmiya Akbar, Poonam Nidadavolu, Oksana Havryliuk, Sébastien Lafond, Sepinoud Azimi |
---|---|
Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2023-01-01
|
Series: | Scientific Reports |
Online Access: | https://doi.org/10.1038/s41598-023-27729-7 |
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