Evaluating the hazardous impact of ionic liquids–challenges and opportunities
Ionic liquids (ILs), being related to the design of new environmentally friendly solvents, are
widely considered for applications within the “green chemistry” concept. Due to their unique …
widely considered for applications within the “green chemistry” concept. Due to their unique …
Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …
space of ionic liquids (ILs) provide them a great opportunity to match different target …
Leave-one-ion-out cross-validation for assisting in develo** robust QSPR models of ionic liquids
Precisely determining thermodynamic properties such as density (ρ) and viscosity (η) at
variable temperatures and pressures is necessary in the chemical process design of ionic …
variable temperatures and pressures is necessary in the chemical process design of ionic …
Machine learning assisted structure-based models for predicting electrical conductivity of ionic liquids
Ionic liquids (ILs) have attracted a great deal of attention as vital compounds that are widely
used in various industries, such as the chemical and petroleum industries. Therefore …
used in various industries, such as the chemical and petroleum industries. Therefore …
A review on created QSPR models for predicting ionic liquids properties and their reliability from chemometric point of view
Ionic liquids (ILs) are chemicals that have attracted the attention of scientists and engineers
because of their various applications in industry. It is important to predict the value of their …
because of their various applications in industry. It is important to predict the value of their …
Viscosity model of deep eutectic solvents from group contribution method
Deep eutectic solvents (DESs), a novel category of sustainable solvents, are expected to
achieve the design of the chemical processes without utilizing or generating harmful …
achieve the design of the chemical processes without utilizing or generating harmful …
Prediction of Electrical Conductivity of Ionic Liquids: From COSMO-RS Derived QSPR Evaluation to Boosting Machine Learning
By virtue of their tunable physicochemical and electrochemical properties, ionic liquids (ILs)
provide a promising solution for enhancing the performance and safety of batteries. Toward …
provide a promising solution for enhancing the performance and safety of batteries. Toward …
Group and group‐interaction contribution method for estimating the melting temperatures of deep eutectic solvents
Deep eutectic solvents (DESs) are mixtures of two or more components that have lower
melting temperatures compared to their constituting components. DESs possess many …
melting temperatures compared to their constituting components. DESs possess many …
Predictive modeling of physicochemical properties and ionicity of ionic liquids for virtual screening of novel electrolytes
In this paper, we present three regression models developed for predicting electrical
conductivity, viscosity, and density of ionic liquids. Combining these machine learning …
conductivity, viscosity, and density of ionic liquids. Combining these machine learning …
Comprehensive prediction of densities for deep eutectic solvents: a new bonding-group interaction contribution scheme
Deep eutectic solvents (DESs) with benign properties as green alternatives are being
preferred for a multitude of energy conversion and environmental protection processes and …
preferred for a multitude of energy conversion and environmental protection processes and …