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|Title:||Combined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt−Cocrystals|
|Author:||Barbas Cañero, Rafael|
Font Bardia, Ma. Mercedes
Hunter, C. A.
Prohens López, Rafael
Estructura cristal·lina (Sòlids)
Layer structure (Solids)
|Publisher:||American Chemical Society|
|Abstract:||New multicomponent solid forms of sildenafil have been discovered by means of a combined virtual/experimental cocrystal screening. Coformer selection of candidates was conducted based on an in silico screening method from a database of more than 2000 organic compounds, and the intensive experimental screen produced 23 new solid forms. Since the 12 coformers chosen have a combination of phenol and carboxylic acid groups, a variety of cocrystals, salts, and hybrid salt-cocrystals were discovered and characterized.|
|Note:||Versió postprint del document publicat a: https://doi.org/10.1021/acs.cgd.8b01413|
|It is part of:||Crystal Growth & Design, 2018, vol. 18, num. 12, p. 7618-7627|
|Appears in Collections:||Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)|
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