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PaccMann(RL): De novo generation of hit-like anticancer molecules from transcriptomic data via reinforcement learning
With the advent of deep generative models in computational chemistry, in-silico drug design is undergoing an unprecedented transformation. Although deep learning approaches have shown potential in generating compounds with desired chemical properties, they disregard the cellular environment of targe...
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| Publicat a: | iScience |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Elsevier
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8022157/ https://ncbi.nlm.nih.gov/pubmed/33851095 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.isci.2021.102269 |
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