Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats-Reference-Cited by-同舟云学术

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Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats

Published:2023-12-15 Issue: Volume:31 Page:800-807
ISSN:
Container-title:2023 International Conference on Machine Learning and Applications (ICMLA)
language:
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Author:

Chen Wei¹,Ren Yihui²,Kagawa Ai²,Carbone Matthew R.²,Chen Samuel Yen-Chi²,Qu Xiaohui¹,Yoo Shinjae²,Clyde Austin³,Ramanathan Arvind³,Stevens Rick L.³,van Dam Hubertus J. J.⁴,Lu Deyu¹

Affiliation:

1. Center for Functional Nanomaterials, Brookhaven National Laboratory,Upton,NY,USA

2. Computational Science Initiative, Brookhaven National Laboratory,Upton,NY,USA

3. Argonne National Laboratory,Data Science and Learning Division,Lemont,IL,USA

4. Condensed Matter Physics & Materials Science, Brookhaven National Laboratory,Upton,NY,USA

Publisher

IEEE

Link

http://xplorestaging.ieee.org/ielx7/10459339/10459727/10459972.pdf?arnumber=10459972

Reference65 articles.

1. Protein-ligand docking: Current status and future challenges

2. Einfluss der Configuration auf die Wirkung der Enzyme

3. A geometric approach to macromolecule-ligand interactions

4. Drug design by the method of receptor fit

5. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

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