Improving Compound Activity Classification via Deep Transfer and Representation Learning

[Image: see text] Recent advances in molecular machine learning, especially deep neural networks such as graph neural networks (GNNs), for predicting structure–activity relationships (SAR) have shown tremendous potential in computer-aided drug discovery. However, the applicability of such deep neura...

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Detalles Bibliográficos
Autores principales: Dey, Vishal, Machiraju, Raghu, Ning, Xia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8945064/
https://www.ncbi.nlm.nih.gov/pubmed/35350358
http://dx.doi.org/10.1021/acsomega.1c06805

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8945064/
https://www.ncbi.nlm.nih.gov/pubmed/35350358
http://dx.doi.org/10.1021/acsomega.1c06805

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