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Solid‐State Perturbation for Solubility Improvement: A Proof of Concept
Author(s) -
Briggner LarsErik,
Hendrickx Ramon,
Kloo Lars,
Rosdahl Jan,
Svensson Per H.
Publication year - 2011
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201000405
Subject(s) - solubility , perturbation (astronomy) , computer science , solid state , molecule , chemistry , combinatorial chemistry , information retrieval , physics , organic chemistry , quantum mechanics
Simple and rational: The intrinsic solubility of a compound can be systematically improved by perturbing key interactions in its crystal structure. By carefully choosing the perturbation, the end result will be a molecule similar to the original one, but with significantly higher solubility. This methodology is demonstrated on a subset of benzodiazepines, resulting in significant improvement of their solubility.