SMILES-based QSAR and molecular docking studies of chalcone analogues as potential anti-colon cancer
Abstract QSAR modeling was applied to predict the anti-colon activity (against HT-29) of 193 chalcone derivatives using the Monte Carlo method, based on the index of ideality correlation (IIC) target function. The models were constructed using CORAL software, which employed optimal descriptors combi...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-02-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-91338-9 |
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