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highlights:
#sketchBINOL
c2k
CP3: NMR data
DP4: NMR data
force field
evaluation
InChIKey collision
RInChI project
solubility challenge
Predicting Intrinsic Aqueous Solubility
Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle
D. S. Palmer, A. Llinas, I. Morao, G. M. Day, J. M. Goodman, R. C. Glen, and J. B. O. Mitchell
Molecular Pharmaceutics
2008,
5
, 266 - 279.
DOI:
10.1021/mp7000878
Most-Accessed Article: January-March 2008
Other papers on solubility and polymorphs include:
Polymorph control: past, present and future
Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution
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