Deep Learning Algorithm of Graph Convolutional Network: A Case of Aqueous Solubility Problems

被引：4
|
作者：
Cho, Hyeoncheol [1 ]
Choi, Insung S. [1 ]
机构：
[1] Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea
来源：
BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2019年 / 40卷 / 06期
关键词：
Aqueous solubility; Deep learning; Graph convolutional network; HIGH-THROUGHPUT; IN-SILICO; PREDICTION;
D O I：
10.1002/bkcs.11730
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Illustration of the graph convolutional network for prediction of aqueous solubility from molecular structure.
引用
收藏
页码：485 / 486
页数：2
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