Two dimensional quantitative structure activity relationship (2D-QSAR) study was performed on B-ring trifluoromethylated chromenone (flavonoid) analogues as anticancer agents. This study was performed with 25 compounds (data set) using random and manual data selection methods for the division of the data set into training and test set. Multiple linear regression analysis coupled with stepwise v...

The emergence and rapid spread of chloroquine resistant strains of Plasmodium falciparum has dramatically reduced the chemotherapeutic options. Towards this goal, the quantitative structure-activity relationship analysis of some synthesized 7-substituted 4aminoquinolines were performed for their antiplasmodial activity against chloroquine-resistant parasites to find out the structural features ...

A set of 26 compound of the series halogenated Indole-3-Acetic acids as oxidatively activate prodrugs with potential for targeted cancer therapy were subjected to quantitative structure activity relationship (QSAR) analysis using combination of various electronic, thermodynamic and spatial descriptors. Several statistical regression equations were obtained using multiple regression analysis. QS...

We present a general approach for re-engineering of object-oriented database schemata. The approach consists of four dependent steps: (1) description of the data within the underlying basic data format, (2) application of a powerful semantic data model in order to construct a semantic database schema, (3) translation of the achieved schema into a general object model, and (4) implementation of ...

the quantitative structure–activity relationship of a series of novel thiazoline derivatives with anticancer activity has been studied by using the density functional theory by b3lyp/ 6-31g. descriptors of quantum mechanics of 21 thiazoline derivatives with known activity were obtained. multiple linear regressions were employed to model the relationships between molecular descriptors and biolog...