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

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

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 i...

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Bibliographic Details
Main Authors: Oleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, Josep Arús-Pous, Esben Jannik Bjerrum, Ola Engkvist, Hongming Chen
Format: Article
Language:English
Published: BMC 2019-12-01
Series:Journal of Cheminformatics
Subjects:
Molecular design
Autoencoder networks
Generative adversarial networks
Deep learning
Online Access:https://doi.org/10.1186/s13321-019-0397-9

Internet

https://doi.org/10.1186/s13321-019-0397-9

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