QSPR studies of impact sensitivity of nitro energetic compounds using three-dimensional descriptors

Beware of q2!

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

Computer Aided Design of Experiments

R. W. Kennard, L. A. Stone · Technometrics · 1969 · 3.4K citations

Public Health, Design, Computer-aided Design +11

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

Plots, Transformations, and Regression

Sanford Weisberg · Technometrics · 1987 · 681 citations

Computing, Biostatistics, Mathematics +8

A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules

Betsy M. Rice, Jennifer J. Hare · The Journal of Physical Chemistry A · 2002 · 551 citations

Natural Sciences, Chemistry, Physics +16