Graph theoretic and machine learning approaches in molecular property prediction of bladder cancer therapeutics
Abstract This work introduces a hybrid computational approach in which degree-based topological descriptors are harnessed with the aid of advanced regression models and artificial neural networks (ANNs) to predict the crucial physicochemical properties of 17 drugs for the treatment of bladder cancer...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-14175-w |
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