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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8022157/ https://www.ncbi.nlm.nih.gov/pubmed/33851095 http://dx.doi.org/10.1016/j.isci.2021.102269 |