Concepedia

Predicting heat capacity of gas for diverse organic compounds at different temperatures

Jingchen Yin, Qingzhu Jia, Fangyou Yan, Qiang Wang

Fluid Phase Equilibria · 2017 · 16 citations · 25 references

DOI

Concepts

References

25

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

, , +16

Principles of QSAR models validation: internal and external

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

, , +13

ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

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

, , +14

y-Randomization and Its Variants in QSPR/QSAR

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

, , +14