Molecular Generation and Optimization of Molecular Properties Using a Transformer Model
Generating novel molecules to satisfy specific properties is a challenging task in modern drug discovery, which requires the optimization of a specific objective based on satisfying chemical rules. Herein, we aim to optimize the properties of a specific molecule to satisfy the specific properties of...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Tsinghua University Press
2024-03-01
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| Series: | Big Data Mining and Analytics |
| Subjects: | |
| Online Access: | https://www.sciopen.com/article/10.26599/BDMA.2023.9020009 |