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BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representation

[Image: see text] Drug failure during experimental procedures due to low bioactivity presents a significant challenge. To mitigate this risk and enhance compound bioactivities, predicting bioactivity classes during lead optimization is essential. The existing studies on structure–activity relationsh...

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Detalles Bibliográficos
Autores principales: Paykan Heyrati, Mehdi, Ghorbanali, Zahra, Akbari, Mohammad, Pishgahi, Ghasem, Zare-Mirakabad, Fatemeh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688196/
https://www.ncbi.nlm.nih.gov/pubmed/38046344
http://dx.doi.org/10.1021/acsomega.3c05778