Scalar Coupling Constant Prediction Using Graph Embedding Local Attention Encoder
Scalar coupling constant (SCC) plays a key role in the analysis of three-dimensional structure of organic matter, however, the traditional SCC prediction using quantum mechanical calculations is very time-consuming. To calculate SCC efficiently and accurately, we proposed a graph embedding local sel...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
IEEE
2020-01-01
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Series: | IEEE Access |
Subjects: | |
Online Access: | https://ieeexplore.ieee.org/document/9199885/ |