A simple spatial extension to the extended connectivity interaction features for binding affinity prediction

The representation of the protein-ligand complexes used in building machine learning models play an important role in the accuracy of binding affinity prediction. The Extended Connectivity Interaction Features (ECIF) is one such representation. We report that (i) including the discretized distances...

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Detalles Bibliográficos
Autores principales: Orhobor, Oghenejokpeme I., Rehim, Abbi Abdel, Lou, Hang, Ni, Hao, King, Ross D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2022
Materias:
Biochemistry, Cellular and Molecular Biology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9066299/
https://www.ncbi.nlm.nih.gov/pubmed/35573039
http://dx.doi.org/10.1098/rsos.211745

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9066299/
https://www.ncbi.nlm.nih.gov/pubmed/35573039
http://dx.doi.org/10.1098/rsos.211745

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