SwePub
Sök i SwePub databas

  Utökad sökning

Träfflista för sökning "WFRF:(Arús Pous Josep) "

Sökning: WFRF:(Arús Pous Josep)

  • Resultat 1-1 av 1
Sortera/gruppera träfflistan
   
NumreringReferensOmslagsbildHitta
1.
  • Shevtsov, Oleksii, 1988, et al. (författare)
  • A de novo molecular generation method using latent vector based generative adversarial network
  • 2019
  • Ingår i: Journal of Cheminformatics. - : Springer Science and Business Media LLC. - 1758-2946 .- 1758-2946. ; 11:1
  • Tidskriftsartikel (refereegranskat)abstract
    • Deep learning methods applied to drug discovery have been used to generate novel structures. In this study, we propose a new deep learning architecture, LatentGAN, which combines an autoencoder and a generative adversarial neural network for de novo molecular design. We applied the method in two scenarios: One to generate random drug-like compounds and another to generate target-biased compounds. Our results show that the method works well in both cases. Sampled compounds from the trained model can largely occupy the same chemical space as the training set and also generate a substantial fraction of novel compounds. Moreover, the drug-likeness score of compounds sampled from LatentGAN is also similar to that of the training set. Lastly, generated compounds differ from those obtained with a Recurrent Neural Network-based generative model approach, indicating that both methods can be used complementarily.[Figure not available: See fulltext.]
  •  
Skapa referenser, mejla, bekava och länka
  • Resultat 1-1 av 1

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Stäng

Kopiera och spara länken för att återkomma till aktuell vy