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- W2368366923 abstract "A quantitative structure-property relationship(QSPR) technique is developed for prediction of liquid viscosities of various organic compounds.The geometries of the 177 organic compounds are optimized by molecular mechanics MM+ approach,and 102 descriptors including electronic,topological,geometric and molecular shape indices for each molecule are calculated with descriptor software.14 descriptors are selected by using Monte Carlo annealing approach.Then the relationship between liquid viscosity and molecular parameters is established by Partial Least Square method(PLS).The result shows that the model has good prediction ability." @default.
- W2368366923 created "2016-06-24" @default.
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- W2368366923 date "2010-01-01" @default.
- W2368366923 modified "2023-09-23" @default.
- W2368366923 title "A quantitative structure-property model for prediction of the liquid viscosity of organic compounds" @default.
- W2368366923 hasPublicationYear "2010" @default.
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