Estimation of Ionic Liquids Toxicity against Leukemia Rat Cell Line IPC‐81 based on the Empirical‐like Models using Intuitive and Explainable Fingerprint Descriptors

Group Contribution Based Estimation Method for Properties of Ionic Liquids

(2019) Yuqiu Chen et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Melting Temperature Estimation of Imidazole Ionic Liquids with Clustering Methods

(2019) Jorge Alberto Cerecedo-Cordoba et al.   Journal of Chemical Information and Modeling

Machine learning to predict the specific optical rotations of chiral fluorinated molecules

(2019) Mengyao Chen et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Prediction of ionic liquids viscosity at variable temperatures and pressures

(2018) Fangyou Yan et al.   CHEMICAL ENGINEERING SCIENCE

Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation

(2018) Mengyao Chen et al.   JOURNAL OF MOLECULAR LIQUIDS

Fundamental importance of ionic interactions in the liquid phase: A review of recent studies of ionic liquids in biomedical and pharmaceutical applications

(2018) Ksenia S. Egorova et al.   JOURNAL OF MOLECULAR LIQUIDS

Prediction of viscosity index and pour point in ester lubricants using quantitative structure-property relationship (QSPR)

(2018) Shima Ghanavati Nasab et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids’ Quantitative Toxicity–Toxicity Relationship Models

(2018) Maciej Barycki et al.   Journal of Chemical Information and Modeling

Global versus local QSAR models for predicting ionic liquids toxicity against IPC-81 leukemia rat cell line: The predictive ability

(2017) A. Sosnowska et al.   JOURNAL OF MOLECULAR LIQUIDS

Screening for High Conductivity/Low Viscosity Ionic Liquids Using Product Descriptors

(2017) Shawn Martin et al.   Molecular Informatics

How the structure of ionic liquid affects its toxicity to Vibrio fischeri ?

(2016) Monika Grzonkowska et al.   CHEMOSPHERE

Temperature-dependent structure-property modeling of viscosity for ionic liquids

(2016) Maciej Barycki et al.   FLUID PHASE EQUILIBRIA

Structural feature based computational approach of toxicity prediction of ionic liquids: Cationic and anionic effects on ionic liquids toxicity

(2016) M Abdus Salam et al.   JOURNAL OF MOLECULAR LIQUIDS

Computational study of the effects of cations and anions to the cytotoxicity of diverse ionic liquids by supervised machine learning

(2015) Shuying Ma et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Quantitative structure–activity relationship (QSAR) prediction of (eco)toxicity of short aliphatic protic ionic liquids

(2015) Brezana Peric et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Machine Learning Estimation of Atom Condensed Fukui Functions

(2015) Qingyou Zhang et al.   Molecular Informatics

Toxicity of Ionic Liquids: Eco(cyto)activity as Complicated, but Unavoidable Parameter for Task-Specific Optimization

(2014) Ksenia S. Egorova et al.   ChemSusChem

Viscosity of Ionic Liquids: An Extensive Database and a New Group Contribution Model Based on a Feed-Forward Artificial Neural Network

(2014) Kamil Paduszyński et al.   Journal of Chemical Information and Modeling

Toxicity of ionic liquids: Database and prediction via quantitative structure–activity relationship method

(2014) Yongsheng Zhao et al.   JOURNAL OF HAZARDOUS MATERIALS

Theoretical descriptor for the correlation of aquatic toxicity of ionic liquids by quantitative structure–toxicity relationships

(2011) S. Bruzzone et al.   CHEMICAL ENGINEERING JOURNAL

Recent advances in ionic liquid catalysis

(2011) Qinghua Zhang et al.   GREEN CHEMISTRY

Influence of oxygen functionalities on the environmental impact of imidazolium based ionic liquids

(2011) Yun Deng et al.   JOURNAL OF HAZARDOUS MATERIALS

Exploration of quantitative structure–property relationships (QSPR) for the design of new guanidinium ionic liquids

(2008) Gonçalo V.S.M. Carrera et al.   TETRAHEDRON

Toxicity and biodegradability of imidazolium ionic liquids

(2007) A. Romero et al.   JOURNAL OF HAZARDOUS MATERIALS