Concepedia

A norm indexes-based QSPR model for predicting the standard vaporization enthalpy and formation enthalpy of organic compounds

Xue Yan, Tian Lan, Qingzhu Jia, Fangyou Yan, Qiang Wang

Fluid Phase Equilibria · 2019 · 18 citations · 47 references

DOI

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References

47

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

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Principles of QSAR models validation: internal and external

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

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ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

Kevin G. Joback, Robert C. Reid · Chemical Engineering Communications · 1987 · 2K citations

, , +14

New group contribution method for estimating properties of pure compounds

Leonidas Constantinou, Rafiqul Gani · AIChE Journal · 1994 · 1.2K citations

, , +12

y-Randomization and Its Variants in QSPR/QSAR

Christoph Rücker, Gerta Rücker, Markus Meringer · Journal of Chemical Information and Modeling · 2007 · 937 citations

, , +14