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Incorporating Virtual Reactions into a Logic-based Ligand-based Virtual Screening Method to Discover New Leads
The use of virtual screening has become increasingly central to the drug development pipeline, with ligand-based virtual screening used to screen databases of compounds to predict their bioactivity against a target. These databases can only represent a small fraction of chemical space, and this pape...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
WILEY-VCH Verlag
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4641463/ https://www.ncbi.nlm.nih.gov/pubmed/26583052 http://dx.doi.org/10.1002/minf.201400162 |