Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State-Reference-Cited by-同舟云学术

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Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State

Published:2024-04-05 Issue:15 Volume:128 Page:3677-3688
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Bursik Benjamin¹^ORCID,Eller Johannes¹^ORCID,Gross Joachim¹^ORCID

Affiliation:

1. Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Stuttgart 70569, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c07447

Reference134 articles.

1. PCP-SAFT Parameters of Pure Substances Using Large Experimental Databases

2. In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration

3. In Silico Prediction of Drug Solubility: 2. Free Energy of Solvation in Pure Melts

4. In Silico Prediction of Drug Solubility. 3. Free Energy of Solvation in Pure Amorphous Matter

5. In silicoprediction of drug solubility: 4. Will simple potentials suffice?

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