Concepedia

New electrotopological descriptor for prediction of boiling points of alkanes and aliphatic alcohols through artificial neural network and multiple linear regression analysis

Arupjyoti Saikia, I. Suryanarayana

Computers & Chemistry · 1998 · 21 citations · 35 references

Concepts

Natural SciencesChemical EngineeringChemistryComputational ChemistryElectrochemistryMachine LearningChemical Space AnalysisElectroanalytical ChemistryMolecular DescriptorsMolecular Property PredictionNeural NetworksAliphatic HydrocarbonsBoiling Point PredictionChemical Feature DetectionComputational Prediction ModelsLinear RegressionMultiple RegressionNeural Network ModelingPhysicochemical Property Prediction

References

35

Learning representations by back-propagating errors

David E. Rumelhart, Geoffrey E. Hinton, Ronald J. Williams · Nature · 1986 · 30.9K citations

Computing, Computer Science, Knowledge Representation +11

Introduction to the theory of neural computation

Neural Networks · 1994 · 6.5K citations

Computing, Computer Science, Neuroscience +12

Cellular neural networks: theory

Leon O. Chua, L. Yang · IEEE Transactions on Circuits and Systems · 1988 · 4.8K citations

Engineering, Electrical Engineering, Analog Electronics +14

Structural Determination of Paraffin Boiling Points

Harry Wiener · Journal of the American Chemical Society · 1947 · 4.1K citations

Natural Sciences, Chemistry, Analytical Chemistry +7

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Natural Sciences, Chemistry, Physics +10