HQSARHolographic Quantitative Structure-Activity Relationship
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Because HQSAR does not require three dimensional (3D) structures of the compounds, the flavonoid derivatives were built using the Sketch module of the Tripos software (Myint and Xie, 2010; Salum and Andricopulo, 2009).
HQSAR graphically provides information on the atomic or fragment contributions to the activities as different colors (Zheng et al., 2006).
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. J.
After generation of descriptors, partial least square (PLS) methodology was used to find the possible correlation between dependent variable (-[pIC.sub.50]) and independent variable (descriptors generated by HQSAR structural features).
They were designed based on the prediction ability of developed HQSAR model.
Their inhibitory activities were calculated according to the HQSAR model.
We successfully developed a HQSAR model for prediction of some MMP-12 inhibitors with good internal and external validity.
In the present study, we used HQSAR approach for a set of MMP-12 inhibitors.