… QSAR and molecular docking technology have been extensively employed in drug virtual …
In this work, 2D-QSAR model was employed to determine EGFR inhibitor, and the 3D-QSAR …

… , cell cycle analysis as well as PARP-1 inhibition. QSAR analysis and molecular modelling
… representing the binding modes of the promising compounds in the active pocket of EGFR. …

… QSAR analyses contains 45 molecules belonging to quinazoline derivatives as tyrosine kinase
(EGFR) inhibitors. … The modelling analyses, calculations, and visualizations for 2D QSAR …

… on the inhibitors play an important role in EGFR inhibition. DFT-based QSAR results suggested
… Ligand-based 3D-QSAR and receptor-guided 3D-QSAR analyses such as CoMFA and …

… Non-linear and spline QSAR models were developed … Our QSAR model gave a high predictive
performance $$(R_{\… using our QSAR model as potent EGFR-T790M inhibitors. Overall, …

… EGFR tyrosine kinase inhibitors. Conformation for all the molecules obtained from molecular
… were used as is for 3D-QSAR analysis. Comparative molecular field analysis (CoMFA) and …

… In summary, models have been developed on a … EGFR inhibitors and non-inhibitors. These
highly accurate prediction models can be used to design and discover novel EGFR inhibitors. …

… QSAR) for evaluating the activity of a set of thiazolyl-pyrazole derivatives as EGFR inhibitors
using the multiple regression method and k-nearest neighbor molecular field analysis (KNN-…

… and selective dual EGFR inhibitors, a 3D-QSAR model was built to … of EGFR inhibition and
performed using the built-in QSAR … The 3D-QSAR model generated from DS 3.5, defined the …

… a QSAR analysis on 290 different compounds with proven inhibitory activity towards EGFR
… The three different approaches to QSAR described in the previous section were explored …