Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties
Abstract Accurate prediction of molecular properties is essential in the screening and development of drug molecules and other functional materials. Traditionally, property-specific molecular descriptors are used in machine learning models. This in turn requires the identification and development of...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2023-05-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-023-00712-0 |