Sentence examples for compounds database from inspiring English sources

Molecules were drawn from the Mcule Purchasable Compounds Database (~5 M compounds) [28].

In addition to such data-processing softwares, we should take advantage of the compounds database in metabolomic studies.

The current data partly constitutes the bases for the development of the Northern African natural compounds database.

The enzyme under study was the HDAC7 and due to the absence of specific inhibitors of this enzyme we adopt both ligand-based and structure-based approaches to filter from a 7 million commercial compounds database, an ensemble of molecules to test versus HDAC7.

While for organometallic compounds database size remains in the thousands, potentially extending to tens of thousands, pharmaceutical virtual screening routinely accesses larger databases and even databases of known compounds capture around 30 million structures [4] in this area, necessitating compromises to reduce the computational costs of descriptor calculations.

The 3D structures of the selected natural compounds with known antineurodegenerative properties were retrieved from PubChem compounds database.

In the process of creating MOL files for compounds, databases can apply different sensitivity settings [2].

Combined with a metric distance, clustering compounds databases would then become computationally tractable.

Off-the-shelf compounds databases virtual screening has been carried out by these programs.

Search of the uPA inhibitors in ready-made compounds databases is the firststage of the new inhibitor development.

South African natural compound database.