Sentence examples for a subset of molecules from inspiring English sources

A subset of molecules from thePubChem Substances database was used as benchmark set.

The second tool, random training set split, can be used to split training set and test set by picking a subset of molecules randomly.

From this collection, we selected a subset of molecules with a heavy atom count of greater than 19 and a molecular weight of less than 500.

The aim of virtual screening methods is to enrich a subset of molecules in potentially active compounds while discarding the compounds supposed to be inactive according to a scoring function [2].

To achieve this we dock a subset of molecules iteratively and the conformal predictor is re-trained until the model reaches a certain efficiency level, whereafter all remaining ligands predicted as 'high-scoring' are docked.

An important task of cheminformatics and computational chemistry in drug research is to provide methods for the selection of a subset of molecules with certain properties from a large compound database.

Next, a food set F⊂ X is defined as a subset of molecule types that are assumed to be freely available from the environment (i.e., they do not necessarily have to be produced by any of the reactions in ).

This behavior could be explained by a model posing that at lower IPA concentrations, IPA occupies the ATP-binding sites of a subset of PERK molecules, triggering kinase activation of neighboring, unoccupied PERK molecules, as previously shown for other kinases (Hall-Jackson et al., 1999; Hatzivassiliou et al., 2010; Poulikakos et al., 2010).

In contrast to the well-defined signalling molecules emanating from the PyV mT oncogene, the binding sites for only a subset of signalling molecules that couple to Neu have been identified.

Although there are some differences in the structure and function of molecules in the MHCI family between rodents and primates, previous results reported by our group suggested a relatively conserved expression pattern of a subset of MHCI molecules in the brains of rodents and nonhuman primates (Rölleke et al. 2006).

Contrary to previously published data, a subset of these molecules show strong interaction with the Z domain of SuRe®.