A predictive PC-SAFT EOS based on COSMO for pharmaceutical compounds.
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ABSTRACT:
SUBMITTER: Mahmoudabadi SZ
PROVIDER: S-EPMC7979706 | biostudies-literature | 2021 Mar
REPOSITORIES: biostudies-literature
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A predictive PC-SAFT EOS based on COSMO for pharmaceutical compounds.
Mahmoudabadi Samane Zarei SZ Pazuki Gholamreza G
Scientific reports 20210319 1
The present study was conducted to develop a predictive type of PC-SAFT EOS by incorporating the COSMO computations. With the proposed model, the physical adjustable inputs to PC-SAFT EOS were determined from the suggested correlations with dependency to COSMO computation results. Afterwards, we tested the reliability of the proposed predictive PC-SAFT EOS by modeling the solubility data of certain pharmaceutical compounds in pure and mixed solvents and their octanol/water partition coefficients ...[more]
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