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The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience
Hit finding, scaffold hopping, and structure–activity relationship studies are important tasks in rational drug discovery. Implementation of these tasks strongly depends on the availability of compounds similar to a known bioactive molecule. SwissSimilarity is a web tool for low-to-high-throughput v...
Autores principales: | Bragina, Maiia E., Daina, Antoine, Perez, Marta A. S., Michielin, Olivier, Zoete, Vincent |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8776004/ https://www.ncbi.nlm.nih.gov/pubmed/35054998 http://dx.doi.org/10.3390/ijms23020811 |
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