Sentence examples for molecular morphing approach from inspiring English sources

Figure 1 Principles of the molecular morphing approach.

Thus we developed Nonpher, a method for the construction of hard-to-synthesize virtual compounds which is based on a previously published molecular morphing approach [23].

In the Nonpher approach, the ( S_{train}^ ) data set was generated by molecular morphing [23] as described in the previous section.

This process is called molecular morphing [23] and structures that form a morphing path are called morphs.

These compounds served as starting structures for molecular morphing.

For performance reasons, molecular morphing was terminated after 30 steps.

In molecular morphing, a path of molecules (morphs) that differ only by small structural perturbations is constructed.

This enables users to easily incorporate molecular morphing into their existing drug discovery pipelines.

Molecular morphing is a computational strategy for the systematic exploration of chemical space.

With its overall functionality, Molpher users can easily incorporate molecular morphing into their drug discovery pipelines.

In this section, we briefly describe Molpher's molecular morphing algorithm.