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ABSTRACT:
SUBMITTER: Sadeghian-Rizi S
PROVIDER: S-EPMC5168880 | biostudies-literature | 2016 Dec
REPOSITORIES: biostudies-literature
Sadeghian-Rizi Sedighe S Sakhteman Amirhossein A Hassanzadeh Farshid F
Research in pharmaceutical sciences 20161201 6
In the current study, both ligand-based molecular docking and receptor-based quantitative structure activity relationships (QSAR) modeling were performed on 35 diaryl urea derivative inhibitors of <sup>V600E</sup>B-RAF. In this QSAR study, a linear (multiple linear regressions) and a nonlinear (partial least squares least squares support vector machine (PLS-LS-SVM)) were used and compared. The predictive quality of the QSAR models was tested for an external set of 31 compounds, randomly chosen o ...[more]