Molecule Classification Based on GCN Network

Xiaozhang Huang ()
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Xiaozhang Huang: Beijing Institute of Graphic Communication

A chapter in LISS 2021, 2022, pp 220-227 from Springer

Abstract: Abstract With the emerging of machine learning and deep learning, ML and DL are widely used in biology and social network. One important task in biology is classify the different molecule. In this paper we propose a novel GCN-based approach, which can learn the molecule representation end-to-end. Then the learned high-level representation is used to classify the molecule. Finally, we conduct extensive experiment to evaluate the performance of our approach. The experiment result shows that our approach’s effectiveness on several biology datasets.

Keywords: Molecule classification; GCN; Neural network (search for similar items in EconPapers)
Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:spr:lnopch:978-981-16-8656-6_21

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DOI: 10.1007/978-981-16-8656-6_21

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