Abraham general solvation parameter model: intramolecular hydrogen bond formation and its effect on the A- and B-descriptor values of select tetracycline derivatives

Determination of Abraham Model Solute Descriptors for N-Hydroxyphthalimide: An Organic Compound Having a N-Hydroxy (N–OH) Functional Group

(2023) Emily Yao et al.   JOURNAL OF SOLUTION CHEMISTRY

Development of Abraham model correlations for dimethyl adipate from measured solubility data of nonelectrolyte organic compounds

(2023) Nikita Shanmugam et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Updated Abraham model correlations for describing solute transfer into both 2-Pentanol and 3-Methyl-1-butanol based on much larger data sets

(2023) Trisha Kandi et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

(2022) Yunsie Chung et al.   Journal of Chemical Information and Modeling

Abraham model correlations for solute transfer into cyclopentanone

(2022) Alyssa Daniel et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Development of Abraham Model Correlations for Describing Solute Transfer into Transcutol Based on Molar Solubility Ratios for Pharmaceutical and Other Organic Compounds

(2022) Advika Varadharajan et al.   JOURNAL OF SOLUTION CHEMISTRY

Descriptors for vitamin K3 (menadione); calculation of biological and physicochemical properties

(2021) Xiangli Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

Descriptors for Edaravone; studies on its structure, and prediction of properties

(2021) Xiangli Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

Determination of Abraham model solute descriptors for hippuric acid from measured molar solubilities in several organic mono-solvents of varying polarity and hydrogen-bonding ability

(2021) Sneha Sinha et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Characterization of the solubilizing ability of short-chained glycol-grafted ammonium and phosphonium ionic liquids

(2020) Fabrice Mutelet et al.   JOURNAL OF MOLECULAR LIQUIDS

Abraham solvation parameter model: calculation of ion-specific equation coefficients for the N-Ethyl-N-methylmorpholinium and N-Octyl-N-methylmorpholinium cations

(2020) Brittani Churchill et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets

(2019) Antonio Llinas et al.   Journal of Chemical Information and Modeling

Solubility Measurement and Thermodynamic Model Correlation of Sancycline in 12 Pure Solvents

(2019) Zehui Yang et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Development of Abraham model IL-specific correlations for N-triethyl(octyl)ammonium bis(fluorosulfonyl)imide and 1-butyl-3-methylpyrrolidinium bis(fluorosulfonyl)imide

(2018) David Yue et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Abraham model solute descriptors reveal strong intramolecular hydrogen bonding in 1,4-dihydroxyanthraquinone and 1,8-dihydroxyanthraquinone

(2017) William E. Acree et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Ion-specific equation coefficient version of the Abraham model for ionic liquid solvents: determination of coefficients for tributylethylphosphonium, 1-butyl-1-methylmorpholinium, 1-allyl-3-methylimidazolium and octyltriethylammonium cations

(2016) Bihan Jiang et al.   PHYSICS AND CHEMISTRY OF LIQUIDS

Is Experimental Data Quality the Limiting Factor in Predicting the Aqueous Solubility of Druglike Molecules?

(2014) David S. Palmer et al.   MOLECULAR PHARMACEUTICS

X-Ray Crystallography of Tetracycline, Doxycycline and Sancycline

(2013) Frank W. Heinemann et al.   JOURNAL OF CHEMICAL CRYSTALLOGRAPHY