Bridging the Gap between Target-Based and Cell-Based Drug Discovery with a Graph Generative Multitask Model

The development of new drugs is crucial for protecting humans from disease. In the past several decades, target-based screening has been one of the most popular methods for developing new drugs. This method efficiently screens potential inhibitors of a target protein in vitro, but it frequently fail...

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Veröffentlicht in:	Journal of chemical information and modeling 2022-12, Vol.62 (23), p.6046-6056
Hauptverfasser:	Hu, Fan, Wang, Dongqi, Huang, Huazhen, Hu, Yishen, Yin, Peng
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Information COVID-19 Deep learning Drug Discovery Drugs Humans In vivo methods and tests Monte Carlo Method SARS-CoV-2 Screening Severe acute respiratory syndrome coronavirus 2
Online-Zugang:	Volltext
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