Screening of multi deep learning-based de novo molecular generation models and their application for specific target molecular generation
Abstract Traditional virtual screening methods need to explore expanse and vast chemical spaces and need to be based on existing chemical libraries. With the development of deep learning techniques for the de novo generation of molecules, also known as inverse molecular design, the increasingly wide...
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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/s41598-025-86840-z |
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