Collaborative Approach between Explainable Artificial Intelligence and Simplified Chemical Interactions to Explore Active Ligands for Cyclin-Dependent Kinase 2

[Image: see text] To improve virtual screening for drug discovery, we present a collaborative approach between explainable artificial intelligence (AI) and simplified chemical interaction scores to efficiently search for active ligands bound to the target receptor. In particular, we focus on cyclin-...

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Detalles Bibliográficos
Autores principales: Shimazaki, Tomomi, Tachikawa, Masanori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973106/
https://www.ncbi.nlm.nih.gov/pubmed/35382271
http://dx.doi.org/10.1021/acsomega.1c06976

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973106/
https://www.ncbi.nlm.nih.gov/pubmed/35382271
http://dx.doi.org/10.1021/acsomega.1c06976

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