Graph Neural Networks Pretraining Through Inherent Supervision for Molecular Property Prediction-Reference-Cited by-同舟云学术

Graph Neural Networks Pretraining Through Inherent Supervision for Molecular Property Prediction

Published:2022-10-17 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the 31st ACM International Conference on Information & Knowledge Management
language:
Short-container-title:

Author:

Benjamin Roy¹,Singer Uriel²,Radinsky Kira¹

Affiliation:

1. Technion - Israel Institute of Technology, Haifa, Israel

2. Meta AI Research, Tel Aviv, Israel

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3511808.3557085

Reference52 articles.

1. Han Altae-Tran Bharath Ramsundar Aneesh S. Pappu and Vijay Pande. 2016. Low Data Drug Discovery with One-shot Learning. https://doi.org/10.48550/ARXIV.1611.03199 10.48550/ARXIV.1611.03199

2. Han Altae-Tran Bharath Ramsundar Aneesh S. Pappu and Vijay Pande. 2016. Low Data Drug Discovery with One-shot Learning. https://doi.org/10.48550/ARXIV.1611.03199

3. Guy Barshatski , Galia Nordon , and Kira Radinsky . 2021. Multi-Property Molecular Optimization Using an Integrated Poly-Cycle Architecture . Association for Computing Machinery , New York, NY, USA , 3727--3736. https://doi.org/10.1145/3459637.348 1938 10.1145/3459637.3481938 Guy Barshatski, Galia Nordon, and Kira Radinsky. 2021. Multi-Property Molecular Optimization Using an Integrated Poly-Cycle Architecture. Association for Computing Machinery, New York, NY, USA, 3727--3736. https://doi.org/10.1145/3459637.3481938

4. Unpaired Generative Molecule-to-Molecule Translation for Lead Optimization

5. Hongming Chen , Ola Engkvist , Yinhai Wang , Marcus Olivecrona , and Thomas Blaschke . 2018. The rise of deep learning in drug discovery. Drug discovery today 23, 6 ( 2018 ), 1241--1250. Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, and Thomas Blaschke. 2018. The rise of deep learning in drug discovery. Drug discovery today 23, 6 (2018), 1241--1250.

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey;Big Data Mining and Analytics;2024-09

2. MPerformer: An SE(3) Transformer-based Molecular Perceptron;Proceedings of the 32nd ACM International Conference on Information and Knowledge Management;2023-10-21

3. Improving Graph Domain Adaptation with Network Hierarchy;Proceedings of the 32nd ACM International Conference on Information and Knowledge Management;2023-10-21

4. Knowledge-augmented Graph Machine Learning for Drug Discovery: From Precision to Interpretability;Proceedings of the 29th ACM SIGKDD Conference on Knowledge Discovery and Data Mining;2023-08-04