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Review of drug discovery-03-molecular design and optimization

2022-06-28 01:41:00 【coast_ s】

01. Molecular design and optimization
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02. New drug design and optimization
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03. Two different tasks
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04. Goal oriented molecular optimization
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05.VAE Connection tree
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06.VAE Connection tree
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07. Looking for molecules with optimal properties
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08.GraphAF： A flow based autoregressive model for molecular graph generation
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09. A flow based autoregressive model for molecular graph generation
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10.GraphAF The advantages of
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11. Molecular generation
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12. Directed target molecule generation reinforcement learning
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13. Molecular optimization
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14. constrained optimization
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15.MoFlow
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16. summary
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