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2000
Volume 19, Issue 5
  • ISSN: 1389-5575
  • E-ISSN: 1875-5607

Abstract

Detailed critical analysis of publications devoted to QSPR of aqueous solubility is presented in the review with discussion of four types of aqueous solubility (three different thermodynamic solubilities with unknown solute structure, intrinsic solubility, solubility in physiological media at pH=7.4 and kinetic solubility), variety of molecular descriptors (from topological to quantum chemical), traditional statistical and machine learning methods as well as original QSPR models.

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/content/journals/mrmc/10.2174/1389557518666180727164417
2019-03-01
2025-07-03
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  • Article Type:
    Review Article
Keyword(s): ADMET; Aqueous solubility; methods and models; molecular descriptors; QSPR; thermodynamic
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