Sentence examples for retrieval of compounds from inspiring English sources

Figure 3 Search by protein example: retrieval of compounds tested for transport by OATP1B1.

For instance, the R packages chemmineR [9] and rcdk [10] enable the manipulation of SDF and SMILES files, the calculation of physicochemical descriptors, the clustering of molecules, and the retrieval of compounds from PubChem [3].

It allows retrieval of all compounds interacting with the selected protein and shows their action types and links to the literature references from which the data originated.

The trivial retrieval of these compounds is mainly responsible for the enrichment of actives and the discovery of chemotypes in the first few percent of the data set.

The visualization of the edge weights helps to understand which atoms of the query are important to obtain a good retrieval of active compounds.

Easy search and retrieval of detailed compound, substance and bioassay information, including substructure and similarity searching.

Position-specific effects were ruled out by means of a third experiment, which investigated the retrieval of noun-noun compounds (e.g., pescespada, "swordfish", lit. fishsword).

However several studies have shown the retrieval of higher proportion of compound SSRs (upto 75%) when the library was enriched using a mixture of different SSR oligos [ 18, 35, 36].

Those functions allow a fast retrieval of additional information on compounds or possible reactions or properties and are therefore highly requested.

However, if no site-specific functions, such as state storage in the queuing system or non-public direct retrieval of PubChem structures via compound (CID) or substance (SID) identifiers, are needed, the PubChem sketcher server process can be run with a standard interpreter from the CACTVS toolkit.

Endocytic vacuoles can be up to 10 μm in diameter and appear specifically in pathological conditions as a result of aberrant retrieval of structures formed by compound endocytosis [ 7].