A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents

Screening of conventional ionic liquids for carbon dioxide capture and separation

(2016) Yingying Zhang et al.   APPLIED ENERGY

Design and screening of ionic liquids for C2H2/C2H4separation by COSMO-RS and experiments

(2015) Xu Zhao et al.   AICHE JOURNAL

The Electrolyte Genome project: A big data approach in battery materials discovery

(2015) Xiaohui Qu et al.   COMPUTATIONAL MATERIALS SCIENCE

1-Cyclohexylpiperidine as a thermolytic draw solute for osmotically driven membrane processes

(2015) Christopher J. Orme et al.   DESALINATION

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening

(2015) Lei Cheng et al.   Journal of Physical Chemistry Letters

Extending the range of switchable-hydrophilicity solvents

(2015) Jeremy Durelle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties

(2015) Tamara Husch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

(2015) Peter Ertl et al.   Journal of Cheminformatics

Concentration dependent speciation and mass transport properties of switchable polarity solvents

(2015) Aaron D. Wilson et al.   RSC Advances

Modelling the behaviour of switchable-hydrophilicity solvents

(2014) Jeremy Durelle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods

(2014) Martin Korth   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure–function study of tertiary amines as switchable polarity solvents

(2014) Aaron D. Wilson et al.   RSC Advances

Screening ionic liquids as candidates for separation of acid gases: Solubility of hydrogen sulfide, methane, and ethane

(2013) Soheil Mortazavi-Manesh et al.   AICHE JOURNAL

Secondary amines as switchable solvents for lipid extraction from non-broken microalgae

(2013) Ying Du et al.   BIORESOURCE TECHNOLOGY

Design and evaluation of switchable-hydrophilicity solvents

(2013) Jesse R. Vanderveen et al.   GREEN CHEMISTRY

Chemoinformatics Profiling of Ionic Liquids—Automatic and Chemically Interpretable Cytotoxicity Profiling, Virtual Screening, and Cytotoxicophore Identification

(2013) Maykel Cruz-Monteagudo et al.   TOXICOLOGICAL SCIENCES

Synthesis of new polyethoxylated tertiary amines and their use as Switchable Hydrophilicity Solvents

(2013) Chiara Samorì et al.   RSC Advances

Switchable hydrophilicity solvents for lipid extraction from microalgae for biofuel production

(2012) Alaina R. Boyd et al.   BIORESOURCE TECHNOLOGY

Separation of bitumen from oil sands using a switchable hydrophilicity solvent

(2012) Amy Holland et al.   CANADIAN JOURNAL OF CHEMISTRY

Toward the Understanding of Chemical Absorption Processes for Post-Combustion Capture of Carbon Dioxide: Electronic and Steric Considerations from the Kinetics of Reactions of CO2(aq) with Sterically hindered Amines

(2012) William Conway et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

QSAR of phytochemicals for the design of better drugs

(2012) Supratik Kar et al.   Expert Opinion on Drug Discovery

Effective lipid extraction from algae cultures using switchable solvents

(2012) Chiara Samorì et al.   GREEN CHEMISTRY

Sterically Hindered Amine-Based Absorbents for the Removal of CO2 from Gas Streams

(2012) Francis Bougie et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Quantitative Structure-Activity/Property Relationships: The Ubiquitous Links between Cause and Effect

(2012) Workalemahu M. Berhanu et al.   ChemPlusChem

Tertiary amine solvents having switchable hydrophilicity

(2011) Philip G. Jessop et al.   GREEN CHEMISTRY

A solvent having switchable hydrophilicity

(2010) Philip G. Jessop et al.   GREEN CHEMISTRY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Fragment-based QSAR: perspectives in drug design

(2009) Lívia B. Salum et al.   MOLECULAR DIVERSITY