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Predicting anti-SARS-CoV-2 activities of chemical compounds using machine learning models

To accelerate the discovery of novel drug candidates for Coronavirus Disease 2019 (COVID-19) therapeutics, we reported a series of machine learning (ML)-based models to accurately predict the anti-SARS-CoV-2 activities of screening compounds. We explored 6 popular ML algorithms in combination with 1...

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Principais autores: Beihong Ji, Yuhui Wu, Elena N. Thomas, Jocelyn N. Edwards, Xibing He, Junmei Wang
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2023-12-01
Serier:Artificial Intelligence Chemistry
Fag:
COVID-19
Machine Learning
In Silico Screening
Antiviral Compounds
SHAP Analysis
Attentive FP
Online adgang:http://www.sciencedirect.com/science/article/pii/S2949747723000295
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