Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction

Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we develo...

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Detalles Bibliográficos
Autores principales: Liu, Ke, Sun, Xiangyan, Jia, Lei, Ma, Jun, Xing, Haoming, Wu, Junqiu, Gao, Hua, Sun, Yax, Boulnois, Florian, Fan, Jie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678642/
https://www.ncbi.nlm.nih.gov/pubmed/31295892
http://dx.doi.org/10.3390/ijms20143389

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678642/
https://www.ncbi.nlm.nih.gov/pubmed/31295892
http://dx.doi.org/10.3390/ijms20143389

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