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An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A(2A) receptor
Over the last 5 years deep learning has progressed tremendously in both image recognition and natural language processing. Now it is increasingly applied to other data rich fields. In drug discovery, recurrent neural networks (RNNs) have been shown to be an effective method to generate novel chemica...
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| I publikationen: | J Cheminform |
|---|---|
| Huvudupphovsmän: | , , , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
Springer International Publishing
2019
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6534880/ https://ncbi.nlm.nih.gov/pubmed/31127405 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0355-6 |
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