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Efficient virtual high-content screening using a distance-aware transformer model
Molecular similarity search is an often-used method in drug discovery, especially in virtual screening studies. While simple one- or two-dimensional similarity metrics can be applied to search databases containing billions of molecules in a reasonable amount of time, this is not the case for complex...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9906956/ https://www.ncbi.nlm.nih.gov/pubmed/36755346 http://dx.doi.org/10.1186/s13321-023-00686-z |