MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning
Abstract The hit-to-lead process makes the physicochemical properties of the hit molecules that show the desired type of activity obtained in the screening assay more drug-like. Deep learning-based molecular generative models are expected to contribute to the hit-to-lead process. The simplified mole...
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| Main Authors: | , , |
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| Format: | article |
| Language: | EN |
| Published: |
BMC
2021
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| Subjects: | |
| Online Access: | https://doaj.org/article/25b685331a2b4355b8bd8e12c68c8c7d |
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