Adversarial Threshold Neural Computer for Molecular de Novo Design

In this article, we propose the deep neural network Adversarial Threshold Neural Computer (ATNC). The ATNC model is intended for the de novo design of novel small-molecule organic structures. The model is based on generative adversarial network architecture and reinforcement learning. ATNC uses a Di...

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Bibliographic Details

Published in:	Molecular pharmaceutics Vol. 15; no. 10; p. 4386
Main Authors:	Putin, Evgeny, Asadulaev, Arip, Vanhaelen, Quentin, Ivanenkov, Yan, Aladinskaya, Anastasia V, Aliper, Alex, Zhavoronkov, Alex
Format:	Journal Article
Language:	English
Published:	United States 01.10.2018
Subjects:	Machine Learning Neural Networks (Computer) generative adversarial network deep neural network molecular de novo design reinforcement learning
ISSN:	1543-8392, 1543-8392
Online Access:	Get more information
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