Sentence examples for a database of molecules from inspiring English sources

ChEMBL is a database of molecules extracted from medicinal chemistry journals and other sources.

Shape-it is a tool to align a reference molecule against a database of molecules.

> -wrap-foot> Once the distribution of Tanimoto scores is determined, either empirically from a database of molecules, or based upon a mathematical model, it is possible to assess the significance of a particular similarity score in relation to this distribution.

This model was validated against 110 known ZAP-70 inhibitors with a correlation of 0.902 as well as enrichment factor of 1.61 against a maximum value of 2. This model picked 4094 hits from a database of 238,819 molecules while 358 molecules were indicated as highly active.

These methods heavily rely on the pre-existing knowledge about the molecules in the database, and require a database of small molecules with known binding targets.

TIMBAL (17), a database of small molecules disrupting protein protein interactions, provides us with a list of small molecules relevant to the proteins of Mtb.

The dataset from CREDO (16), a protein ligand interaction database for drug discovery, TIMBAL (17), a database of small molecules disrupting protein protein interactions and TIBLE (http://mordred.bioc.cam.ac.uk/tible/), a database of small molecules against Mtb and ligand-based off-target predictions, are connected in structural interactome computational resource (SInCRe).

One is the Protein Data Bank — a database of biological molecules — that is heavily used by the life sciences community and is publicly supported.

PubChem: a database of chemical molecules [19].

➢ PubChemd, which is a database of chemical molecules.

These models were used for virtual screening of a database of 245 molecules generated around typical scaffolds of known DNA intercalators.