Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
http://link.springer.com/content/pdf/10.1007/s10822-020-00293-2.pdf
Reference73 articles.
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3. Sangster J (1997) Octanol-water partition coefficients: fundamentals and physical chemistry. Wiley, Chichester
4. Vitha M, Carr PW (2006) The chemical interpretation and practice of linear solvation energy relationships in chromatography. J Chromatogr A 1126:143–194
5. Sedov IA, Salikov TM, Qian E, Wadawadigi A, Zha O, Acree WE Jr, Abraham MH (2019) Abraham model correlations for solute transfer into 2-methyl-2-butanol based on measured activity coefficient and solubility data at 298.15 K. J Mol Liq 293:111454
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