Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems

Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion

(2020) Fabian Jirasek et al.   Journal of Physical Chemistry Letters

Hidden representations in deep neural networks: Part 2. Regression problems

(2020) Laya Das et al.   COMPUTERS & CHEMICAL ENGINEERING

Prediction of CO2 solubility in ionic liquids using machine learning methods

(2020) Zhen Song et al.   CHEMICAL ENGINEERING SCIENCE

Deep Learning Based Recommender System

(2019) Shuai Zhang et al.   ACM COMPUTING SURVEYS

Rational design of double salt ionic liquids as extraction solvents: Separation of thiophene/ n ‐octane as example

(2019) Zhen Song et al.   AICHE JOURNAL

COSMO‐UNIFAC model for ionic liquids

(2019) Yichun Dong et al.   AICHE JOURNAL

Food Product Design: A Hybrid Machine Learning and Mechanistic Modeling Approach

(2019) Xiang Zhang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model

(2019) Simon Müller   Journal of Cheminformatics

Extending the UNIFAC model for ionic liquid–solute systems by combining experimental and computational databases

(2019) Zhen Song et al.   AICHE JOURNAL

Hidden representations in deep neural networks: Part 1. Classification problems

(2019) Abhishek Sivaram et al.   COMPUTERS & CHEMICAL ENGINEERING

Predicting Cancer Drug Response using a Recommender System

(2018) Chayaporn Suphavilai et al.   BIOINFORMATICS

A machine learning based computer-aided molecular design/screening methodology for fragrance molecules

(2018) Lei Zhang et al.   COMPUTERS & CHEMICAL ENGINEERING

Machine learning: Overview of the recent progresses and implications for the process systems engineering field

(2018) Jay H. Lee et al.   COMPUTERS & CHEMICAL ENGINEERING

Compositional descriptor-based recommender system for the materials discovery

(2018) Atsuto Seko et al.   JOURNAL OF CHEMICAL PHYSICS

Application of COSMO-RS and UNIFAC for ionic liquids based gas separation

(2018) Xinyan Liu et al.   CHEMICAL ENGINEERING SCIENCE

The promise of artificial intelligence in chemical engineering: Is it here, finally?

(2018) Venkat Venkatasubramanian   AICHE JOURNAL

A United Chemical Thermodynamic Model: COSMO-UNIFAC

(2018) Yichun Dong et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Systematic Method for Screening Ionic Liquids as Extraction Solvents Exemplified by an Extractive Desulfurization Process

(2017) Zhen Song et al.   ACS Sustainable Chemistry & Engineering

Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids + thiophene + heptane}: COSMO-RS prediction and experimental verification

(2016) Zhen Song et al.   FLUID PHASE EQUILIBRIA

Further Development of Modified UNIFAC (Dortmund): Revision and Extension 6

(2016) Dana Constantinescu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

In Silico Calculation of Infinite Dilution Activity Coefficients of Molecular Solutes in Ionic Liquids: Critical Review of Current Methods and New Models Based on Three Machine Learning Algorithms

(2016) Kamil Paduszyński   Journal of Chemical Information and Modeling

Correlation of liquid–liquid equilibrium for binary and ternary systems containing ionic liquids with the tetrafluoroborate anion using ASOG

(2015) Pedro A. Robles et al.   FLUID PHASE EQUILIBRIA

Extractive distillation with ionic liquids: A review

(2014) Zhigang Lei et al.   AICHE JOURNAL

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

UNIFAC model for ionic liquid-CO2systems

(2013) Zhigang Lei et al.   AICHE JOURNAL

Separation of methyl acetate+methanol azeotropic mixture using ionic liquid entrainers

(2013) Vladimír Dohnal et al.   CHEMICAL ENGINEERING JOURNAL

Simultaneous design of ionic liquid entrainers and energy efficient azeotropic separation processes

(2012) Brock C. Roughton et al.   COMPUTERS & CHEMICAL ENGINEERING

Prediction of activity coefficients at infinite dilution for organic solutes in ionic liquids by artificial neural network

(2010) Faezeh Nami et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Matrix Factorization Techniques for Recommender Systems

(2009) Yehuda Koren et al.   COMPUTER

Influence of cation and anion structure of the ionic liquid on extraction processes based on activity coefficients at infinite dilution. A review

(2009) Andrzej Marciniak   FLUID PHASE EQUILIBRIA

UNIFAC Model for Ionic Liquids

(2009) Zhigang Lei et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Correlation of infinite dilution activity coefficient of solute in ionic liquid using UNIFAC model

(2007) Junfeng Wang et al.   FLUID PHASE EQUILIBRIA