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dc.contributor.authorBarbas, R.*
dc.contributor.authorFont-Bardia, M.*
dc.contributor.authorParadkar, Anant R.*
dc.contributor.authorHunter, C.A.*
dc.contributor.authorProhens, R.*
dc.date.accessioned2018-11-22T10:55:04Z
dc.date.available2018-11-22T10:55:04Z
dc.date.issued2018-12
dc.identifier.citationBarbas R, Font-Bardia M, Paradkar A et al (2018) Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals. Crystal Growth and Design. 18(12): 7618-7627.en_US
dc.identifier.urihttp://hdl.handle.net/10454/16663
dc.descriptionYesen_US
dc.description.abstractNew 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.en_US
dc.language.isoenen_US
dc.rights© 2018 ACS. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.cgd.8b01413en_US
dc.subjectMulticomponent solid formsen_US
dc.subjectSildenafilen_US
dc.subjectCocrystalsen_US
dc.subjectSaltsen_US
dc.subjectHybrid salt-cocrystalsen_US
dc.subjectSilico screening methoden_US
dc.titleCombined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystalsen_US
dc.status.refereedYesen_US
dc.date.Accepted2018-10
dc.date.application2018-10-30
dc.typeArticleen_US
dc.type.versionAccepted Manuscripten_US
dc.identifier.doihttps://doi.org/10.1021/acs.cgd.8b01413
refterms.dateFOA2018-11-22T10:55:04Z


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