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Applying Machine Learning to Ultrafast Shape Recognition in Ligand-Based Virtual Screening
Ultrafast Shape Recognition (USR), along with its derivatives, are Ligand-Based Virtual Screening (LBVS) methods that condense 3-dimensional information about molecular shape, as well as other properties, into a small set of numeric descriptors. These can be used to efficiently compute a measure of...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7042174/ https://www.ncbi.nlm.nih.gov/pubmed/32140104 http://dx.doi.org/10.3389/fphar.2019.01675 |