Sentence examples for molecular Pairs analysis from inspiring English sources

Matched Molecular Pairs Analysis.

An analytical approach that deals with MMPs is matched molecular pairs analysis (MMPA).

Matched molecular pairs analysis defines a transformation as a change at an attachment point (this may be generalized to multiple attachment points).

In this section, we apply the prediction-driven matched molecular pairs analysis for the QSAR models to the two endpoints mentioned earlier: aquatic toxicity and CYP3A4 inhibition.

Here we demonstrate how the experimental uncertainty and variability[2, 3] affect Matched Molecular Pair Analysis.

Matched molecular pair analysis has been used in design of inhibitors of glycogen phosphorylase.

Matched molecular pair analysis (MMPA) allowed the design of a new series of pyrazolo[1,5-a]pyridine derivatives 4 6.

Generally spoken, matched molecular pair analysis (MMPA) aims at the extraction of all MMPs from a set of compounds and their association with calculated or measured property changes.

To find the sharpest changes in the data, it is molecular pair analysis rather than global QSAR models that is most applicable approach [10, 11].

Matched molecular pair analysis (MMPA) was applied in the QSAR model to characterize molecular transformations causing a significant change in the anti-HIV activity.

Kramer et al. [18] performed matched molecular pair analysis by comparing the ChEMBL data and Novartis data suggesting that MMP analysis is a very robust tool for lead optimization and will have growing importance in daily medicinal chemistry practice.