Concepedia

Quantitative structure–affinity relationship study of azo dyes for cellulose fibers by multiple linear regression and artificial neural network

Xiaojun Wang, Yongyuan Sun, Shaojin Gu, Ruina Liu, Li Liu, Xin Liu, Jie Xu

Chemometrics and Intelligent Laboratory Systems · 2014 · 18 citations · 28 references

Concepts

Natural SciencesMaterials EngineeringMaterials ScienceComputational ChemistryComputational Materials ScienceMachine LearningCellulose ChemistryFiber PropertiesNeural NetworksQuantitative Structure-activity RelationshipsCellulose AnalysisCellulose CharacterizationDye CharacterizationFibersLinear RegressionMultiple RegressionNeural Network ModelingStructure-property Relationships In Dyes

References

28

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

Pharmacy, Medicinal Chemistry, Drug Design +16

Principles of QSAR models validation: internal and external

Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.2K citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +13

Validation of Regression Models: Methods and Examples

Ronald D. Snee · Technometrics · 1977 · 1.3K citations

Computing, Data Science, Machine Learning +15

Azo dyes: past, present and the future

Amit Bafana, Sivanesan Saravana Devi, Tapan Chakrabarti · Environmental Reviews · 2011 · 721 citations

Natural Sciences, Chemical Engineering, Chemistry +17