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A de novo molecular generation method using latent vector based generative adversarial network

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Main Authors: Prykhodko, Oleksii, Johansson, Simon Viet, Kotsias, Panagiotis‐Christos, Arús‐Pous, Josep, Bjerrum, Esben Jannik, Engkvist, Ola, Chen, Hongming
Format: Article
Terbitan: , 2019
Subjects:
Molecular design
Autoencoder networks
Generative adversarial networks
Deep learning
"Marie Sklodowska-Curie Actions"
Online Access: https://zenodo.org/record/3600966
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https://zenodo.org/record/3600966

Lihat Juga

  • Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)
    oleh: Kotsias, Panagiotis-Christos, et al.
    Terbitan: (2019)
  • Molecular de novo Design Through Deep Generative Models
    oleh: Engkvist, Ola, et al.
    Terbitan: (2020)
  • Randomized SMILES strings improve the quality of molecular generative models
    oleh: Arús-Pous, Josep, et al.
    Terbitan: (2019)
  • Application of Generative Autoencoder in de Novo Molecular Design
    oleh: Blaschke, Thomas, et al.
    Terbitan: (2017)
  • Neural Network Guided Tree-Search Policies for Synthesis Planning
    oleh: Thakkar, Amol, et al.
    Terbitan: (2019)
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