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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society
2022
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| Materias: | |
| 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 |