Biology direct. 2015-03-25; 10.10.

QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

Singh H, Singh S, Singla D, Agarwal SM, Raghava GP

PMID: 25880749


Epidermal Growth Factor Receptor (EGFR) is a well-characterized cancer drug target. In the past, several QSAR models have been developed for predicting inhibition activity of molecules against EGFR. These models are useful to a limited set of molecules for a particular class like quinazoline-derivatives. In this study, an attempt has been made to develop prediction models on a large set of molecules (~3500 molecules) that include diverse scaffolds like quinazoline, pyrimidine, quinoline and indole.

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