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Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules
[Image: see text] We describe a computational method, plane of best fit (PBF), to quantify and characterize the 3D character of molecules. This method is rapid and amenable to analysis of large diverse data sets. We compare PBF with alternative literature methods used to assess 3D character and appl...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3477823/ https://www.ncbi.nlm.nih.gov/pubmed/23009689 http://dx.doi.org/10.1021/ci300293f |