Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors
Abstract Nowadays, an efficient and robust virtual screening procedure is crucial in the drug discovery process, especially when performed on large and chemically diverse databases. Virtual screening methods, like molecular docking and classic QSAR models, are limited in their ability to handle vast...
| Main Authors: | , , , |
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| 格式: | 文件 |
| 语言: | English |
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Nature Portfolio
2024-04-01
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| 丛编: | Scientific Reports |
| 主题: | |
| 在线阅读: | https://doi.org/10.1038/s41598-024-58122-7 |