Toxicity Prediction Method Based on Multi-Channel Convolutional Neural Network

Toxicity Prediction Method Based on Multi-Channel Convolutional Neural Network

Molecular toxicity prediction is one of the key studies in drug design. In this paper, a deep learning network based on a two-dimension grid of molecules is proposed to predict toxicity. At first, the van der Waals force and hydrogen bond were calculated according to different descriptors of molecul...

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Bibliographic Details
Main Authors:	Qing Yuan, Zhiqiang Wei, Xu Guan, Mingjian Jiang, Shuang Wang, Shugang Zhang, Zhen Li
Format:	Article
Language:	English
Published:	MDPI AG 2019-09-01
Series:	Molecules
Subjects:	deep learning Tox21 toxicity prediction convolutional neural networks
Online Access:	https://www.mdpi.com/1420-3049/24/18/3383

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