Beware of q2!

By A. Golbraikh, Alexander Tropsha. Journal of Molecular Graphics and Modelling, 2002

3,342 citations recorded by the source corpus.

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation (2014, methodology): “It is generally considered better, however, to use a distinct test-set that has not been involved in the training [30,31], and this was accomplished here using data kindly provided by the CHMP that typifies their regular work-load.”
Classification-Based Regression Models for Prediction of the Mechanical Properties of Roller-Compacted Concrete Pavement (2020, methodology): “Golbraikh and Tropsha [74] have adopted the new external validation criteria to assess the estimation precision of the models according to the performance of validating data.”
Energy-based numerical models for assessment of soil liquefaction (2012, background): “Golbraikh and Tropsha (2002) suggested that at least one slope of regression lines (k or k0) through the origin should be close to 1.”
Proposed minimum reporting standards for data analysis in metabolomics (2007, background): “Such models are known to be extremely overoptimistic, especially for K = 1 (Golbraikh and Tropsha 2002 ).”