Can small drugs predict the intrinsic aqueous solubility of ‘beyond Rule of 5’ big drugs? [PDF]
ADMET and DMPK, 2020 The aim of the study was to explore to what extent small molecules (mostly from the Rule of 5 chemical space) can be used to predict the intrinsic aqueous solubility, S0, of big molecules from beyond the Rule of 5 (bRo5) space.
Alex Avdeef, Manfred Kansy
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Influence of Choline-Based Ionic Liquids as Neoteric Green Solvents on Aqueous Solubility of Lamotrigine and Piroxicam Drugs [PDF]
Pharmaceutical Sciences, 2022 Background: New compounds called choline-based ionic liquids (ILs) that are environmentally friendly have become more attractive. In this study, some choline-based ILs (choline lactate (ChLa) and choline propionate (ChPro)) have been used to increase the
Hemayat Shekaari +3 more
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Solubility Enhancement of Betamethasone, Meloxicam and Piroxicam by Use of Choline-Based Deep Eutectic Solvents [PDF]
Pharmaceutical Sciences, 2021 Background: The low aqueous solubility of three important drugs (betamethasone (BETA), meloxicam (MEL) and piroxicam (PIR)) have been increased by use of deep eutectic solvents (DESs) based choline chloride/urea (ChCl/U), choline chloride/ethylene glycol
Salva Golgoun +2 more
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Use of GA-ANN and GA-SVM for a QSPR study on the aqueous solubility of pesticides [PDF]
Journal of the Serbian Chemical Society, 2021 The partitioning tendency of pesticides, in this study herbicides in particular, into different environmental compartments depends mainly of the physicochemical properties of the pesticides itself.
Bouakkadia Amel +4 more
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Measurement and Modeling of Solubility of Galactose in Aqueous Ionic Liquids, 1-Butyl-3-Methyl Imidazolium Bromide, 1-Hexyl-3-Methyl Imidazolium Bromide and 1-Butyl-3-Methylimidazolium Chloride at T = (298.15 And 308.15) K [PDF]
Pharmaceutical Sciences, 2019 Background: Saccharides are considered as abundant, cheap and renewable starting materials for chemicals and fuels. Recently, ionic liquids have been used as green solvents for saccharides.
Mohammad Taghi Zafarani Moattar +2 more
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Molecules, 2022 New protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach.
Maciej Przybyłek +3 more
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Cyclodextrins: Concept to applications, regulatory issues and challenges [PDF]
Nanomedicine Research Journal, 2020 Background: Solubility properties of drugs intensify a crucial role during the formulation development process. Aqueous solubility is one of the most significant factors concerning drug bioavailability analysis.
Azeez Mohammad +2 more
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ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”
ADMET and DMPK, 2021 Computational models for predicting aqueous solubility from the molecular structure represent a promising strategy from the perspective of drug design and discovery.
Gabriela Falcón-Cano +2 more
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Aqueous Alteration on Asteroids Simplifies Soluble Organic Matter Mixtures [PDF]
ApJL 920 L39 (2021), 2021 Biologically relevant abiotic extraterrestrial soluble organic matter (SOM) has been widely investigated to study the origin of life and the chemical evolution of protoplanetary disks. Synthesis of biologically relevant organics, in particular, seems to require aqueous environments in the early solar system.
arxiv +1 more source
Journal of Chemometrics, 2020 We present a collection of publicly available intrinsic aqueous solubility data of 829 drug‐like compounds. Four different machine learning algorithms (random forests [RF], LightGBM, partial least squares, and least absolute shrinkage and selection ...
M. Lovrić +6 more
semanticscholar +1 more source