As has been discussed in many of the bucket list papers, medicinal chemists are often called upon to build and/or use statistical models. There are many ways of doing this incorrectly, some of which are easy to do without realising it. In this delightfully frank set of instructions, Dearden, Cronin and Kaiser describe lots of the common errors (summarised as the 21 types in the table shown) and acknowledge examples that include some from their own work that show these problems in action. This paper is an essential checklist and note of caution for all those involved in QSAR or QSPR in its many guises.
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR).
Dearden, Cronin, Kaiser SAR QSAR in Environ. Res. 2009, 20, 241-266.
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