Sentence examples for molecular frameworks and from inspiring English sources

We further investigated target ranking by determining the number of molecular frameworks and scaffolds.

We have consequently exploited the compound listing to produce a detailed assessment of chemical diversity by comparing molecular frameworks and scaffolds on a per-target basis.

Oprea scaffold itself is actually not a hierarchy, but together with molecular frameworks and Murcko scaffolds, the Oprea scaffolds form a clearly defined tree hierarchy corresponding to topological configuration of ring systems in a molecule with different degree of abstraction at each level.

First of all, we hope to examine and establish a set of computational strategies, including the property-based rules, the characterization of molecular frameworks and the classification models based on naïve Bayesian classification technique, for drug-likeness evaluation at different levels.

There, the molecule is decomposed into a framework (often referred to as Murcko or molecular framework) and side chains.

In addition, ClassyFire provides the Molecular Framework and a list of all identified substituents (or structural features).

Hence, it is important to have information about the structure of the organic molecule, charge distribution on the molecular framework, and intermolecular interactions as they collectively govern the performance of the device.

Relationships of new compounds' molecular framework and HIV viral target has been overviewed in order to facilitate further construction of promising anti-HIV agents in future drug discovery process.

Our article emphasizes an urgent need that now it is important for us to recognize the fundamentals of proteostasis to design a new molecular framework and fruitful strategies to uncover how the proteome defects are associated with aging and neurodegenerative diseases.

The scaffolds at the bottom of the hierarchy are inspired by the original work on molecular frameworks by Bemis and Murcko [16].

These efforts have afforded access to a diverse array of molecular frameworks of both natural and designed origin.