Concepedia

Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds

Vinca Prana, Guillaume Fayet, Patricia Rotureau, Carlo Adamo

Journal of Hazardous Materials · 2012 · 36 citations · 45 references

DOIFull text

Open access

Concepts

References

45

Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations

, , +9

A Concordance Correlation Coefficient to Evaluate Reproducibility

Biometrics · 1989 · 8.7K citations

, , +16

Molecular mechanics. The MM3 force field for hydrocarbons. 1

Norman L. Allinger, Y. Yuh, Jenn Huei Lii · Journal of the American Chemical Society · 1989 · 2.8K citations

, , +14

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