Autonomous Drug Design with Multi-Armed Bandits-Reference-Cited by-同舟云学术

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Autonomous Drug Design with Multi-Armed Bandits

Published:2022-12-17 Issue: Volume: Page:
ISSN:
Container-title:2022 IEEE International Conference on Big Data (Big Data)
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Author:

Svensson Hampus Gummesson¹,Jannik Bjerrum Esben²,Tyrchan Christian³,Engkvist Ola¹,Chehreghani Morteza Haghir¹

Affiliation:

1. Chalmers University of Technology,Department of Computer Science and Engineering,Gothenburg,Sweden

2. Discovery Sciences, R&D, AstraZeneca,Molecular AI,Gothenburg,Sweden

3. Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca,Medicinal Chemistry, Research and Early Development,Gothenburg,Sweden

Publisher

IEEE

Link

http://xplorestaging.ieee.org/ielx7/10020192/10020156/10020357.pdf?arnumber=10020357

Reference49 articles.

1. Graph Networks for Molecular Design;mercado;Machine Learning Science and Technology,2020

2. REINVENT 2.0: An AI Tool for De Novo Drug Design

3. Data-science driven autonomous process optimization;christensen;Chemical Communications,2021

4. De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models

5. The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.

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