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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...

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Detalles Bibliográficos
Autores principales:	Bonanno, Etienne, Ebejer, Jean-Paul
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2020
Materias:	Pharmacology
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

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