Molecular Property Prediction Based on a Multichannel Substructure Graph
Molecular property prediction is important to drug design. With the development of artificial intelligence, deep learning methods are effective for extracting molecular features. In this paper, we propose a multichannel substructure-graph gated recurrent unit (GRU) architecture, which is a novel GRU...
| 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/8964313/ |