Novel reaction-based De Novo molecular design in 2D & 3D using deep Q-Learning
<p>There has been a growth of interest in de novo molecular design methods in recent years, thanks to exciting new developments in artificial intelligence, and deep learning in particular. Molecule Deep Q-Networks (MolDQN) is a de novo algorithm developed by Zhou et al. in 2019 that combines s...
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| Format: | Thesis |
| Language: | English |
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2022
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