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Molecular generative model based on conditional variational autoencoder for de novo molecular design

Jaechang Lim, Seongok Ryu, Jin Woo Kim and 1 more

Journal of Cheminformatics · 2018

Abstract

Electronic supplementary material. The online version of this article (10.1186/s13321-018-0286-7) contains supplementary material, which is available to authorized users.

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Cited by papers we hold 7

Generative Models as an Emerging Paradigm in the Chemical Sciences · 2023
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A pocket-based 3D molecule generative model fueled by experimental electron density · 2022
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Advances in De Novo Drug Design: From Conventional to Machine Learning Methods · 2021
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Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions · 2020
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Constrained Bayesian optimization for automatic chemical design using variational autoencoders · 2020
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A de novo molecular generation method using latent vector based generative adversarial network · 2019
No notice
Optimization of Molecules via Deep Reinforcement Learning · 2019
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