solute descriptors Recently Published Documents

10.1080/00319104.2021.2025373 ◽

2022 ◽

pp. 1-13

Author(s):

Angelina Xu ◽

William E. Acree ◽

Michael H. Abraham

Keyword(s):

Structural Features ◽

Abraham Model ◽

Predicting Solute Descriptors for Organic Chemicals by a Deep Neural Network (DNN) Using Basic Chemical Structures and a Surrogate Metric

Environmental Science & Technology ◽

10.1021/acs.est.1c05398 ◽

2022 ◽

Author(s):

Kai Zhang ◽

Huichun Zhang

Keyword(s):

Neural Network ◽

Deep Neural Network ◽

Organic Chemicals ◽

Chemical Structures ◽

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

10.1080/00319104.2021.2018692 ◽

2021 ◽

pp. 1-9

Author(s):

Sneha Sinha ◽

Advika Varadharajan ◽

Angelina Xu ◽

Emily Wu ◽

William E. Acree

Keyword(s):

Hydrogen Bonding ◽

Hippuric Acid ◽

Abraham Model ◽

Can deep learning algorithms enhance the prediction of solute descriptors for linear solvation energy relationship approaches?

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113349 ◽

2021 ◽

pp. 113349

Author(s):

Nadin Ulrich ◽

Andrea Ebert

Keyword(s):

Deep Learning ◽

Learning Algorithms ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation ◽

Empirical Regressions between System Parameters and Solute Descriptors of Polyparameter Linear Free Energy Relationships (PPLFERs) for Predicting Solvent-Air Partitioning

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113035 ◽

2021 ◽

pp. 113035

Author(s):

Trevor N. Brown

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

System Parameters ◽

Linear Free Energy ◽

Energy Relationships ◽

Hesperetin Solubility in Aqueous Co-solvent Mixtures of Methanol and Ethanol: Solute Descriptors, Solvent Effect and Preferential Solvation Analysis

Journal of Solution Chemistry ◽

10.1007/s10953-020-00948-6 ◽

2020 ◽

Vol 49 (2) ◽

pp. 179-194

Author(s):

Javad Talebi ◽

Naghi Saadatjou ◽

Ali Farajtabar

Keyword(s):

Solvent Effect ◽

Preferential Solvation ◽

Solvent Mixtures ◽

Solute Descriptors ◽

Solvation Analysis

Solubility of 4-methyl-3-nitrobenzoic acid in organic mono-solvents: calculation of Abraham model solute descriptors

10.1080/00319104.2019.1660982 ◽

2019 ◽

Vol 58 (6) ◽

pp. 782-791 ◽

Cited By ~ 1

Author(s):

Shang Wang ◽

Kelly Liu ◽

Alex Zhang ◽

Jingyi Dai ◽

Avi Gupta ◽

...

Keyword(s):

Nitrobenzoic Acid ◽

Abraham Model ◽

Determination of Abraham model solute descriptors for xanthone based on experimental solubility measurements at 298.2 K

10.1080/00319104.2019.1566462 ◽

2019 ◽

Vol 58 (2) ◽

pp. 214-221 ◽

Cited By ~ 2

Author(s):

Ellen Qian ◽

Grace Lee ◽

Melanie Che ◽

Lainey Wang ◽

David Yue ◽

...

Keyword(s):

Abraham Model ◽

Experimental Solubility ◽

Determination of Abraham model solute descriptors for o-acetoacetanisidide based on experimental solubility data in organic mono-solvents

10.1080/00319104.2018.1496438 ◽

2018 ◽

Vol 57 (4) ◽

pp. 528-535 ◽

Cited By ~ 8

Author(s):

Grace Lee ◽

Melanie Che ◽

Ellen Qian ◽

Lainey Wang ◽

Avi Gupta ◽

...

Keyword(s):

Solubility Data ◽

Abraham Model ◽

Experimental Solubility Data ◽

Experimental Solubility ◽

Determination of Abraham model solute descriptors for 4-tert-butylbenzoic acid from experimental solubility data in organic mono-solvents

10.1080/00319104.2018.1482552 ◽

2018 ◽

Vol 57 (4) ◽

pp. 445-452 ◽

Cited By ~ 7

Author(s):

Erin Hart ◽

Grace Lee ◽

Ellen Qian ◽

Megan Jodray ◽

Maribel Barrera ◽

...

Keyword(s):

Solubility Data ◽

Abraham Model ◽

Experimental Solubility Data ◽

Experimental Solubility ◽