[PDF][PDF] Correlation of liquid viscosity with molecular structure for organic compounds using different variable selection methods

B Lučić, I Bašic, D Nadramija, A Miličević, N Trinajstić… - Arkivoc, 2002 - codessa-pro.com
Improved models for predicting viscosities at 20 C were generated using three different
methods for descriptor selection. Data set of 361 diverse organic molecules and their …

Estimation of the liquid viscosity of organic compounds with a quantitative structure− property model

O Ivanciuc, T Ivanciuc, PA Filip… - Journal of chemical …, 1999 - ACS Publications
A QSPR (quantitative structure− property relationship) model for the estimation of the liquid
viscosity of a large variety of organic compounds was established using the CODESSA …

Computer-assisted approach to develop a new prediction method of liquid viscosity of organic compounds

T Suzuki, K Ohtaguchi, K Koide - Computers & chemical engineering, 1996 - Elsevier
A predictive method, based on quantitative structure-activity relationship (QSAR) techniques,
has been developed for liquid viscosities of organic compounds. On the basis of the set of …

A molecular-based model for prediction of liquid viscosity of pure organic compounds: A quantitative structure property relationship (QSPR) approach

F Gharagheizi, SA Mirkhani, MH Keshavarz… - Journal of the Taiwan …, 2013 - Elsevier
In this study, a new quantitative structure–property relationship (QSPR) is presented for
prediction of the liquid viscosity of pure organic compounds. The model implements eight …

Development of both linear and nonlinear methods to predict the liquid viscosity at 20 C of organic compounds

T Suzuki, RU Ebert, G Schüürmann - Journal of chemical …, 1997 - ACS Publications
Experimental values for the liquid viscosity (η) at 20° C ranging from 0.164 mPa⊙ s (trans-2-
pentene) to 1490 mPa⊙ s (glycerol) have been collected from literature for 361 organic …

Prediction of liquid viscosity for organic compounds by a quantitative structure–property relationship

AR Katritzky, K Chen, Y Wang… - Journal of physical …, 2000 - Wiley Online Library
The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was
investigated using a quantitative structure–property relationship (QSPR) approach. A five …

Quantitative Structure− Property Relationship (QSPR) Prediction of Liquid Viscosities of Pure Organic Compounds Employing Random Forest Regression

R Rajappan, PD Shingade, R Natarajan… - Industrial & …, 2009 - ACS Publications
A quantitative structure− property relationship (QSPR) approach was used to develop a
predictive model for viscosities of pure organic liquids using a set of 403 compounds that …

Application of a general computer algorithm based on the group-additivity method for the calculation of two molecular descriptors at both ends of dilution: Liquid …

R Naef, WE Acree - Molecules, 2017 - mdpi.com
The application of a commonly used computer algorithm based on the group-additivity
method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity …

DFT-based theoretical prediction of intrinsic viscosity of polymer solutions

L Dang, S Zhang - SAR and QSAR in Environmental Research, 2018 - Taylor & Francis
ABSTRACT A four-descriptor quantitative structure–property relationship model was
constructed to predict 65 intrinsic viscosities [η] of polymer solutions. Four quantum chemical …

Application of neural networks to modeling and estimating temperature-dependent liquid viscosity of organic compounds

T Suzuki, RU Ebert, G Schüürmann - Journal of chemical …, 2001 - ACS Publications
Back-propagation neural network models for correlating and predicting the viscosity−
temperature behavior of a large variety of organic liquids were developed. Experimental …