Sentence examples for activities of molecules from inspiring English sources

Multivariate linear regression (MLR) was employed to model the relationship between 0D and 3D molecular descriptors and biological activities of molecules using the replacement method (MR) as variable selection tool.

Computational medicinal chemistry supports drug discovery by designing and identifying new drug-like chemical entities, predicting the properties and pharmacological activities of molecules, and assisting in the optimization of lead structures.

Regression analysis models the activities of molecules through an equation constructed using a linear combination of physicochemical properties.

The goal of QSAR (quantitative structure-activity-relationship) is to establish some quantitative relationship between structural features of molecules and the biological activities of molecules [1],[2].

Due to the importance of these compounds, diverse studies on synthesis and biological activities of molecules containing the chalcone ring system, have been reported recently [2].

15 Other functions of α-tocopherol that would be of benefit to ocular health include effects on the expression and activities of molecules and enzymes in immune and inflammatory cells.

In this regard, potential genetic factors would also include altered activity of molecules cleaving and activating TNFα like the TNF converting-enzyme [22].

To overcome this problem there is an increasing need for algorithms to analyze and classify graph data to predict the activity of molecules.

We define activity of molecules over two cases – the antibacterial assays (denoted AA) and the biochemical assays (denoted BA).

Therefore binding site comparison methods may have an important role in identifying the polypharmacological activity of molecules.

Both metabolism and transport are key elements defining the bioavailability and biological activity of molecules, i.e. their adverse and therapeutic effects.