Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC
出版年份 2021 全文链接
标题
Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC
作者
关键词
Deep learning, Molecular fingerprints, Convolutional neural networks, COSMO-SAC, σ, -profile prediction, High-throughput solvent screening
出版物
CHEMICAL ENGINEERING SCIENCE
Volume 246, Issue -, Pages 117002
出版商
Elsevier BV
发表日期
2021-08-11
DOI
10.1016/j.ces.2021.117002
参考文献
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