Sentence examples for cheminformatics tools from inspiring English sources

Applying the mentioned cheminformatics tools, it would be possible to design and introduce new compounds with broad applications in antimycobacterial drug discovery and development.

In the current study, several bioactive structure databases were analyzed using cheminformatics tools to correlate the chemical structures of different compounds with their pharmacological activities; in addition, these tools were tried to identify molecules that could be candidate for experimental assays.

Indeed, several cheminformatics tools rely on chemical substructures, also called fragments.

These tools complement cheminformatics tools that analyze the atomic structures of polymers.

Preconfigured virtual machines can be used for worldwide distribution of open source and freely available cheminformatics tools.

Cheminformatics tools that makes use of the OSGi module system includes KNIME [9], Cytoscape (as of version 3) [10], Taverna [11, 12], and Bioclipse [13].

Similarity searching is a standard cheminformatics tool in drug discovery area and database design.

When I joined the company, the cheminformatics tool was already up and running--but nobody knew the best way to really use it.

Several public and commercial cheminformatics tool-kits are currently available for structure manipulation and molecular editing [23].

For an extension of the MFD technique to chemical ensembles containing peptides and proteins an appropriate molecular fragment cheminformatics tool for their design is in need.

It is especially the introduction and consequent application of so-called "transformation size-restricted matched molecular pairs" that renders this concept useful for the end-user, since an abstract cheminformatics tool becomes more tangible for the practitioner in the field.