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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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Detalles Bibliográficos
Autores principales:	Yuan, Qing, Wei, Zhiqiang, Guan, Xu, Jiang, Mingjian, Wang, Shuang, Zhang, Shugang, Li, Zhen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6766985/ https://www.ncbi.nlm.nih.gov/pubmed/31533341 http://dx.doi.org/10.3390/molecules24183383

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