Deep generative design with 3D pharmacophoric constraints
Generative models have increasingly been proposed as a solution to the molecular design problem. However, it has proved challenging to control the design process or incorporate prior knowledge, limiting their practical use in drug discovery. In particular, generative methods have made limited use of...
| Main Authors: | , , , |
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| 格式: | Journal article |
| 语言: | English |
| 出版: |
Royal Society of Chemistry
2021
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