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In silico screening of dicarboxylic acids for cocrystallization with phenylpiperazine derivatives based on both cocrystallization propensity and solubility advantage

In silico screening was performed to search for binary solids in which a phenylpiperazine-derivative drug was cocrystallized with a dicarboxylic acid. The phenylpiperazine derivative could be any of 61 such drugs, while the dicarboxylic acid could be any of nine such acids. The uniqueness of this ap...

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Bibliographic Details
Published in:J Mol Model
Main Author: Cysewski, Piotr
Format: Artigo
Language:Inglês
Published: Springer Berlin Heidelberg 2017
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5368210/
https://ncbi.nlm.nih.gov/pubmed/28349342
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-017-3287-y
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