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 |