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: | Zhongyin Xu, Xiujuan Lei, Mei Ma, Yi Pan |
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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 |
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