Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction-Reference-Cited by-同舟云学术

Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction

Published:2021-04-15 Issue:16 Volume:6 Page:11086-11094
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Fernández-Llaneza Daniel¹,Ulander Silas¹,Gogishvili Dea¹^ORCID,Nittinger Eva¹^ORCID,Zhao Hongtao¹^ORCID,Tyrchan Christian¹

Affiliation:

1. Department of Medicinal Chemistry, Research and Early Development, Respiratory and Immunology, Biopharmaceutical R&D, AstraZeneca, Pepparedsleden 1, SE 43183 Mölndal, Sweden

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.1c01266

Reference45 articles.

1. Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

2. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

3. Advances in computational methods to predict the biological activity of compounds

4. Molecular graph convolutions: moving beyond fingerprints

5. Quantum-chemical insights from deep tensor neural networks

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